Anastrozole

Identification

Summary

Anastrozole is a competitive, selective, non-steroidal aromatase inhibitor used as adjuvant therapy for the treatment of hormone receptor-positive breast cancer in postmenopausal women.

Brand Names

Arimidex

Generic Name

Anastrozole

DrugBank Accession Number

DB01217

Background

Anastrozole is a non-steroidal aromatase inhibitor (AI), similar to letrozole, used to decrease circulating estrogen levels in the treatment of postmenopausal women with estrogen-responsive breast cancer.¹⁰ Anastrozole is also related to exemestane, a steroidal AI, but its non-steroidal nature provides stark advantages including a lack of steroid-associated adverse effects such as weight gain and acne.⁴ Aromatase inhibitors, including anastrozole, have become endocrine drugs of choice in the treatment of postmenopausal breast cancer due to a more favourable efficacy and adverse effect profile as compared to earlier estrogen receptor modulators such as tamoxifen.^5,8

Anastrozole was first approved for use in the United States in 1995.¹⁰

Type

Small Molecule

Groups

Approved, Investigational

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Anastrozole (DB01217)

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Weight

Average: 293.3663
Monoisotopic: 293.164045633

Chemical Formula

C₁₇H₁₉N₅

Synonyms

• Anastrozol
• Anastrozole
• α,α,α',α'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile

External IDs

• ICI D1033
• ICI-D1033
• ZD-1033
• ZD1033

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Pharmacology

Indication

Anastrozole is indicated as adjunct therapy in the treatment of hormone receptor-positive early breast cancer in postmenopausal women, and as a first-line treatment for hormone receptor-positive (or hormone receptor-unknown) locally advanced or metastatic breast cancer in postmenopausal women.¹⁰ It may also be used in the treatment of advanced breast cancer in postmenopausal women who experience disease progression despite treatment with tamoxifen.^11,10

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Associated Conditions

Indication Type	Indication	Combined Product Details	Approval Level	Age Group	Patient Characteristics	Dose Form
Treatment of	Advanced breast cancer		••••••••••••	••••••••••••••	••••••• ••••••••••• •••• ••••••••• •••••••
Adjunct therapy in treatment of	Early breast cancer		••••••••••••	••••••••••••••
Treatment of	Locally advanced breast cancer		••••••••••••	••••••••••••••	••••••• •••••••• •••••••
Treatment of	Locally advanced breast cancer		••••••••••••	••••••••••••••
Treatment of	Metastatic breast cancer		••••••••••••	••••••••••••••	••••••• •••••••• •••••••

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Pharmacodynamics

Anastrozole prevents the conversion of adrenal androgens (e.g. testosterone) to estrogen in peripheral and tumour tissues. As the growth of many breast cancers is stimulated and/or maintained by the presence of estrogen, anastrozole helps to treat these cancers by decreasing the levels of circulating estrogens.^12,9 Anastrozole has a relatively long duration of action allowing for once daily dosing - serum estradiol is reduced by approximately 70% within 24 hours of beginning therapy with 1mg once daily, and levels remain suppressed for up to 6 days following cessation of therapy.¹⁰

The incidence of ischemic cardiovascular events was increased during anastrozole therapy and patients with pre-existing ischemic heart disease should consider the risks and benefits of anastrozole before beginning therapy. Anastrozole has also been reported to decrease spine and hip bone mineral density (BMD), so consideration should be given to monitoring of BMD in patients receiving long-term therapy.^10,8

Mechanism of action

Anastrazole exerts its anti-estrogenic effects via selective and competitive inhibition of the aromatase enzyme found predominantly in the adrenal glands, liver, and fatty tissues.⁵ Many breast cancers are hormone receptor-positive, meaning their growth is stimulated and/or maintained by the presence of hormones such as estrogen or progesterone.¹⁰ In postmenopausal women, estrogen is primarily derived from the conversion of adrenally-produced androgens into estrogens by the aromatase enzyme - by competitively inhibiting the biosynthesis of estrogen at these enzymes, anastrozole effectively suppresses circulating estrogen levels and, subsequently, the growth of hormone receptor-positive tumours.^5,9

Target	Actions	Organism
ACytochrome P450 19A1	inhibitor	Humans

Absorption

Anastrozole is rapidly absorbed and T_max is typically reached within 2 hours of dosing under fasted conditions.^5,12 Coadministration with food reduces the rate but not the overall extent of absorption - mean C_max decreased by 16% and the median T_max was extended to 5 hours when anastrozole was administered 30 minutes after ingestion of food,¹⁰ though this relatively minor alteration in absorption kinetics is not expected to result in clinically significant effects.¹¹

Volume of distribution

The volume of distribution of anastrozole into brain tissue in mice is 3.19 mL/g. Distribution into the CNS is limited due to the activity of P-gp efflux pumps at the blood brain barrier, of which anastrozole is a substrate.²

Protein binding

Anastrozole is 40% protein bound in plasma¹⁰ and appears to be independent of plasma concentration.¹²

Metabolism

Anastrozole is primarily metabolized in the liver via oxidation and glucuronidation to a number of inactive metabolites, including hydroxyanastrozole (both free and glucuronidated) and anastrozole glucuronide.^1,10,12 Oxidation to hydroxyanastrozole is catalyzed predominantly by CYP3A4 (as well as CYP3A5 and CYP2C8, to a lesser extent) and the direct glucuronidation of anastrozole appears to be catalyzed mainly by UGT1A4.¹

Anastrozole may also undergo N-dealkylation to form triazole and 3,5-Bis-(2-methylpropiononitrile)-benzoic acid.¹ Labels for anastrozole state the main metabolite found in plasma following administration is triazole,^10,12 but a recent pharmacokinetic study was unable to detect any products of N-dealkylation in vitro.¹

Hover over products below to view reaction partners

• Anastrozole
  • Anastrozole glucuronide metabolite
  • Hydroxyanastrozole
    • Hydroxyanastrozole glucuronide metabolite
  • Triazole
  • 3,5-Bis-(2-methylpropiononitrile)-benzoic acid

Route of elimination

Hepatic metabolism accounts for approximately 85% of anastrozole elimination.¹⁰ Approximately 10% of the administered dosage is eliminated unchanged in the urine.^12,13

Half-life

The elimination half-life of anastrozole is approximately 50 hours.^10,12,5

Clearance

Anastrozole's clearance is mainly via hepatic metabolism and can therefore be altered in patients with hepatic impairment - patients with stable hepatic cirrhosis exhibit an apparent oral clearance approximately 30% lower compared with patients with normal liver function.^10,12 Conversely, renal impairment has a negligible effect on total drug clearance as the renal route is a relatively minor clearance pathway for anastrozole. In volunteers with severe renal impairment, renal clearance was reduced by 50% while total clearance was only reduced by approximately 10%.^10,12

Adverse Effects

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Toxicity

The reported oral TDLo in a human woman is 1.68 mg/kg given intermittently over the course of 12 weeks.¹⁴ Knowledge of the signs and symptoms of anastrozole overdose is incomplete as there are no documented descriptions of a patient receiving more than 60mg,¹³ a dose which was administered to a healthy male volunteer and was well-tolerated.^10,12 There is no antidote for anastrozole and treatment should be supportive and symptomatic, including close monitoring of patient vital signs. As anastrozole exhibits relatively low protein binding, dialysis may be helpful and should be considered in select cases.^10,12

Pathways

Not Available

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Interactions

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This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.

• Approved
• Vet approved
• Nutraceutical
• Illicit
• Withdrawn
• Investigational
• Experimental
• All Drugs

Drug	Interaction
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Abatacept	The metabolism of Anastrozole can be increased when combined with Abatacept.
Abiraterone	The metabolism of Anastrozole can be decreased when combined with Abiraterone.
Acetyldigitoxin	Acetyldigitoxin may decrease the cardiotoxic activities of Anastrozole.
Adalimumab	The metabolism of Anastrozole can be increased when combined with Adalimumab.
Almotriptan	The metabolism of Anastrozole can be decreased when combined with Almotriptan.

Food Interactions

• Take with or without food. Co-administration with food reduces the rate, but not the overall extent, of absorption.

Products

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Product Images

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International/Other Brands

Asiolex

Brand Name Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Anastrozole	Tablet	1 mg	Oral	Sanis Health Inc	2015-07-22	Not applicable
Anastrozole	Tablet, film coated	1 mg/1	Oral	Global Pharmaceuticals	2013-06-05	2013-08-26
Anastrozole	Tablet	1 mg	Oral	Sivem Pharmaceuticals Ulc	2023-07-06	Not applicable
Anastrozole	Tablet	1 mg	Oral	Pro Doc Limitee	2012-11-22	Not applicable
Anastrozole	Tablet, coated	1 mg/1	Oral	Boscogen, Inc.	2011-03-31	Not applicable

Generic Prescription Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Accel-anastrozole Tablets	Tablet	1 mg	Oral	Accel Pharma Inc	Not applicable	Not applicable
Ach-anastrozole	Tablet	1 mg	Oral	Accord Healthcare Inc	2012-10-25	Not applicable
Ag-anastrozole	Tablet	1 mg	Oral	Angita Pharma Inc.	2023-07-27	Not applicable
Anastrozole	Tablet, film coated	1 mg/1	Oral	Mylan Institutional	2010-06-11	2013-09-30
Anastrozole	Tablet, film coated	1 mg/1	Oral	bryant ranch prepack	2012-05-31	2019-02-28

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Testosterone / Anastrozole	Anastrozole (20 mg/1) + Testosterone (200 mg/1)	Pellet	Oral	Qualgen Llc	2017-11-14	Not applicable
Testozole	Anastrozole (4 mg/1) + Testosterone (60 mg/1)	Pellet, implantable	Subcutaneous	Advanced Pharmaceutical Technology, Inc.	2021-12-21	Not applicable
Testozole	Anastrozole (4 mg/1) + Testosterone (60 mg/1)	Pellet, implantable	Subcutaneous	Advanced Pharmaceutical Technology, Inc.	2021-01-01	Not applicable

Categories

ATC Codes

L02BG03 — Anastrozole

• L02BG — Aromatase inhibitors
• L02B — HORMONE ANTAGONISTS AND RELATED AGENTS
• L02 — ENDOCRINE THERAPY
• L — ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Drug Categories

• Antineoplastic Agents
• Antineoplastic Agents, Hormonal
• Antineoplastic and Immunomodulating Agents
• Aromatase Inhibitors
• Cardiotoxic antineoplastic agents
• Cytochrome P-450 CYP1A2 Inhibitors
• Cytochrome P-450 CYP1A2 Inhibitors (strength unknown)
• Cytochrome P-450 CYP2C8 Inhibitors
• Cytochrome P-450 CYP2C8 Inhibitors (strength unknown)
• Cytochrome P-450 CYP2C8 Substrates
• Cytochrome P-450 CYP2C9 Inhibitors
• Cytochrome P-450 CYP2C9 Inhibitors (strength unknown)
• Cytochrome P-450 CYP3A Inhibitors
• Cytochrome P-450 CYP3A Substrates
• Cytochrome P-450 CYP3A4 Inhibitors
• Cytochrome P-450 CYP3A4 Inhibitors (strength unknown)
• Cytochrome P-450 CYP3A4 Substrates
• Cytochrome P-450 CYP3A5 Substrates
• Cytochrome P-450 Enzyme Inhibitors
• Cytochrome P-450 Substrates
• Endocrine Therapy
• Enzyme Inhibitors
• Estrogen Antagonists
• Hormone Antagonists
• Hormone Antagonists and Related Agents
• Hormones, Hormone Substitutes, and Hormone Antagonists
• Nitriles
• P-glycoprotein substrates
• Steroid Synthesis Inhibitors
• Triazoles
• UGT1A3 substrates
• UGT1A4 substrates
• UGT2B7 substrates

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Phenylpropanes

Direct Parent

Phenylpropanes

Alternative Parents

Triazoles / Heteroaromatic compounds / Nitriles / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives

Substituents

1,2,4-triazole / Aromatic heteromonocyclic compound / Azacycle / Azole / Carbonitrile / Heteroaromatic compound / Hydrocarbon derivative / Nitrile / Organic nitrogen compound / Organoheterocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

nitrile, triazoles (CHEBI:2704)

Affected organisms

• Humans and other mammals

Chemical Identifiers

UNII

2Z07MYW1AZ

CAS number

120511-73-1

InChI Key

YBBLVLTVTVSKRW-UHFFFAOYSA-N

InChI

InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3

IUPAC Name

2-[3-(1-cyano-1-methylethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl]-2-methylpropanenitrile

SMILES

CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N

References

Synthesis Reference

Anil Khile, Narendra Joshi, Shekhar Bhirud, "Process for the preparation of anastrozole and intermediates thereof." U.S. Patent US20060189670, issued August 24, 2006.

US20060189670

General References

1. Kamdem LK, Liu Y, Stearns V, Kadlubar SA, Ramirez J, Jeter S, Shahverdi K, Ward BA, Ogburn E, Ratain MJ, Flockhart DA, Desta Z: In vitro and in vivo oxidative metabolism and glucuronidation of anastrozole. Br J Clin Pharmacol. 2010 Dec;70(6):854-69. doi: 10.1111/j.1365-2125.2010.03791.x. [Article]
2. Miyajima M, Kusuhara H, Takahashi K, Takashima T, Hosoya T, Watanabe Y, Sugiyama Y: Investigation of the effect of active efflux at the blood-brain barrier on the distribution of nonsteroidal aromatase inhibitors in the central nervous system. J Pharm Sci. 2013 Sep;102(9):3309-19. doi: 10.1002/jps.23600. Epub 2013 May 27. [Article]
3. Gervasini G, Jara C, Olier C, Romero N, Martinez R, Carrillo JA: Polymorphisms in ABCB1 and CYP19A1 genes affect anastrozole plasma concentrations and clinical outcomes in postmenopausal breast cancer patients. Br J Clin Pharmacol. 2017 Mar;83(3):562-571. doi: 10.1111/bcp.13130. Epub 2016 Oct 18. [Article]
4. Buzdar AU, Robertson JF, Eiermann W, Nabholtz JM: An overview of the pharmacology and pharmacokinetics of the newer generation aromatase inhibitors anastrozole, letrozole, and exemestane. Cancer. 2002 Nov 1;95(9):2006-16. doi: 10.1002/cncr.10908. [Article]
5. Barros-Oliveira MDC, Costa-Silva DR, Andrade DB, Borges US, Tavares CB, Borges RS, Silva JM, Silva BBD: Use of anastrozole in the chemoprevention and treatment of breast cancer: A literature review. Rev Assoc Med Bras (1992). 2017 Apr;63(4):371-378. doi: 10.1590/1806-9282.63.04.371. [Article]
6. Grimm SW, Dyroff MC: Inhibition of human drug metabolizing cytochromes P450 by anastrozole, a potent and selective inhibitor of aromatase. Drug Metab Dispos. 1997 May;25(5):598-602. [Article]
7. Kelly CM, Buzdar AU: Anastrozole. Expert Opin Drug Saf. 2010 Nov;9(6):995-1003. doi: 10.1517/14740338.2010.515977. [Article]
8. Cuzick J, Sestak I, Baum M, Buzdar A, Howell A, Dowsett M, Forbes JF: Effect of anastrozole and tamoxifen as adjuvant treatment for early-stage breast cancer: 10-year analysis of the ATAC trial. Lancet Oncol. 2010 Dec;11(12):1135-41. doi: 10.1016/S1470-2045(10)70257-6. Epub 2010 Nov 17. [Article]
9. Gobbi S, Rampa A, Belluti F, Bisi A: Nonsteroidal aromatase inhibitors for the treatment of breast cancer: an update. Anticancer Agents Med Chem. 2014 Jan;14(1):54-65. [Article]
10. FDA Approved Drug Products: Arimidex (anastrozole) oral tablets [Link]
11. EMA Approved Drugs: Anastrozole [Link]
12. DPD Approved Drugs: Anastrozole [Link]
13. Medsafe NZ: Anastrozole [Link]
14. CaymenChem: Anastrozole MSDS [Link]

External Links

Human Metabolome Database

HMDB0015348

KEGG Drug

D00960

KEGG Compound

C08159

PubChem Compound

2187

PubChem Substance

46504987

ChemSpider

2102

BindingDB

10015

RxNav

84857

ChEBI

2704

ChEMBL

CHEMBL1399

ZINC

ZINC000000000941

Therapeutic Targets Database

DAP000627

PharmGKB

PA448432

RxList

RxList Drug Page

Drugs.com

Drugs.com Drug Page

PDRhealth

PDRhealth Drug Page

Wikipedia

Anastrozole

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">

Phase	Status	Purpose	Conditions	Count
4	Completed	Health Services Research	Breast Cancer	1
4	Completed	Treatment	Breast Cancer	4
4	Completed	Treatment	Endometriosis	1
4	Completed	Treatment	Hormono-depending Adjuvant Breast Cancer	1
4	Completed	Treatment	Hypogonadism / Obesity, Severe	1

Pharmacoeconomics

Manufacturers

Not Available

Packagers

• Accord Healthcare
• Ascend Laboratories LLC
• AstraZeneca Inc.
• Breckenridge Pharmaceuticals
• Cadila Healthcare Ltd.
• Cypress Pharmaceutical Inc.
• Doctor Reddys Laboratories Ltd.
• Kaiser Foundation Hospital
• Karalex Pharmaceuticals
• Lake Erie Medical and Surgical Supply
• Medisca Inc.
• Murfreesboro Pharmaceutical Nursing Supply
• Mylan
• Physicians Total Care Inc.
• Resource Optimization and Innovation LLC
• Roxane Labs
• Sandoz
• Teva Pharmaceutical Industries Ltd.
• Three Rivers Pharmaceuticals LLC
• UDL Laboratories
• Zeneca Pharma Inc.
• Zydus Pharmaceuticals

Dosage Forms

Form	Route	Strength
Tablet, film coated	Oral
Tablet	Oral	1 mg/1
Tablet, coated	Oral	1 mg/1
Tablet, film coated	Oral	1 mg/1
Tablet, film coated	Oral	1.000 mg
Tablet, film coated	Oral	1 mg
Tablet, film coated	Oral	1.0 mg
Tablet, film coated	Oral	1.00 mg
Tablet	Oral
Tablet	Oral	1 mg
Tablet, coated	Oral	100000 mg
Tablet	Oral	1.000 mg
Tablet	Oral	1.00 mg
Tablet, coated	Oral	1 mg
Pellet	Oral
Pellet, implantable	Subcutaneous

Prices

Unit description	Cost	Unit
Anastrozole 100% powder	1326.52USD	g
Arimidex 1 mg tablet	15.3USD	tablet
Aromasin 25 mg tablet	14.04USD	tablet

DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.

Patents

Patent Number	Pediatric Extension	Approved	Expires (estimated)	Region
USRE36617	No	2000-03-14	2010-06-27
CA1337420	No	1995-10-24	2012-10-24

Properties

State

Solid

Experimental Properties

Property	Value	Source
water solubility	0.53 mg/mL	Canadian label (DPD)
logP	1.58	Canadian label (DPD)
pKa	1.4	Canadian label (DPD)

Predicted Properties

Property	Value	Source
Water Solubility	0.0661 mg/mL	ALOGPS
logP	2.31	ALOGPS
logP	3.03	Chemaxon
logS	-3.6	ALOGPS
pKa (Strongest Basic)	2	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	4	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	78.29 Å2	Chemaxon
Rotatable Bond Count	4	Chemaxon
Refractivity	97.47 m3·mol-1	Chemaxon
Polarizability	31.97 Å3	Chemaxon
Number of Rings	2	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Property	Value	Probability
Human Intestinal Absorption	+	0.9965
Blood Brain Barrier	+	0.9382
Caco-2 permeable	+	0.5516
P-glycoprotein substrate	Non-substrate	0.6405
P-glycoprotein inhibitor I	Non-inhibitor	0.764
P-glycoprotein inhibitor II	Non-inhibitor	0.7662
Renal organic cation transporter	Non-inhibitor	0.512
CYP450 2C9 substrate	Non-substrate	0.803
CYP450 2D6 substrate	Non-substrate	0.9116
CYP450 3A4 substrate	Substrate	0.5761
CYP450 1A2 substrate	Non-inhibitor	0.6218
CYP450 2C9 inhibitor	Non-inhibitor	0.7616
CYP450 2D6 inhibitor	Non-inhibitor	0.9183
CYP450 2C19 inhibitor	Non-inhibitor	0.6404
CYP450 3A4 inhibitor	Non-inhibitor	0.6501
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.7038
Ames test	Non AMES toxic	0.6394
Carcinogenicity	Non-carcinogens	0.8068
Biodegradation	Not ready biodegradable	1.0
Rat acute toxicity	2.5564 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.9464
hERG inhibition (predictor II)	Non-inhibitor	0.8878

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-004i-3290000000-ff4ef0855ebb4330d2d2
LC-MS/MS Spectrum - LC-ESI-qTof , Positive	LC-MS/MS	splash10-004l-1390000000-8636c0aef7d79b805328
MS/MS Spectrum - , positive	LC-MS/MS	splash10-004l-1390000000-8636c0aef7d79b805328
MS/MS Spectrum - , positive	LC-MS/MS	splash10-004l-0190000000-739ac0c546bb150b1c60
LC-MS/MS Spectrum - LC-ESI-QFT , positive	LC-MS/MS	splash10-004i-0090000000-8ccdc5fa9f18334eae92
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004m-0390000000-e084d80cfaffa07e3a67
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-98a24f0f1dab0b056d68
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00kf-0090000000-89144080ac7e6ec6d954
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kv-0290000000-67b24c72e44d95d31754
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03k9-0090000000-5dfff321f5148dc1ccd6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0005-0980000000-6b1c4a61055a697238b9
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å2)	Source type	Source
[M-H]-	187.7445976	predicted	DarkChem Lite v0.1.0
[M-H]-	189.0756976	predicted	DarkChem Lite v0.1.0
[M-H]-	189.7342976	predicted	DarkChem Lite v0.1.0
[M-H]-	168.4686	predicted	DeepCCS 1.0 (2019)
[M+H]+	188.7252976	predicted	DarkChem Lite v0.1.0
[M+H]+	190.3083976	predicted	DarkChem Lite v0.1.0
[M+H]+	190.5270976	predicted	DarkChem Lite v0.1.0
[M+H]+	170.82661	predicted	DeepCCS 1.0 (2019)
[M+Na]+	188.0070976	predicted	DarkChem Lite v0.1.0
[M+Na]+	189.7656976	predicted	DarkChem Lite v0.1.0
[M+Na]+	177.6099	predicted	DeepCCS 1.0 (2019)

Targets

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Binding Properties

×

Property	Measurement	pH	Temperature (°C)	References
IC 50 (nM)	6.00E+02	N/A	37	A27884
IC 50 (nM)	600	7.4	37	A29575
IC 50 (nM)	10	N/A	N/A	A27888
IC 50 (nM)	1.5	N/A	N/A	A29281
IC 50 (nM)	15	N/A	N/A	A27502
IC 50 (nM)	8	N/A	N/A	A29285
IC 50 (nM)	12	N/A	N/A	A29327
Ki (nM)	0.13	N/A	N/A	A29285

Details

Binding Properties1. Cytochrome P450 19A1

Kind

Protein

Organism

Humans

Pharmacological action

Yes

Actions

Inhibitor

General Function

Oxygen binding

Specific Function

Catalyzes the formation of aromatic C18 estrogens from C19 androgens.

Gene Name

CYP19A1

Uniprot ID

P11511

Uniprot Name

Aromatase

Molecular Weight

57882.48 Da

References

1. Buzdar AU, Robertson JF, Eiermann W, Nabholtz JM: An overview of the pharmacology and pharmacokinetics of the newer generation aromatase inhibitors anastrozole, letrozole, and exemestane. Cancer. 2002 Nov 1;95(9):2006-16. doi: 10.1002/cncr.10908. [Article]
2. Miller WR: Aromatase inhibitors: mechanism of action and role in the treatment of breast cancer. Semin Oncol. 2003 Aug;30(4 Suppl 14):3-11. [Article]
3. Kelly CM, Buzdar AU: Anastrozole. Expert Opin Drug Saf. 2010 Nov;9(6):995-1003. doi: 10.1517/14740338.2010.515977. [Article]
4. FDA Approved Drug Products: Arimidex (anastrozole) oral tablets [Link]
5. DPD Approved Drugs: Anastrozole [Link]

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Drug created at June 13, 2005 13:24 / Updated at February 20, 2024 23:54