NAV

Saracatinib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Saracatinib
DrugBank Accession Number
DB11805
Background

Saracatinib has been investigated for the treatment of Cancer, Osteosarcoma, Ovarian Cancer, Fallopian Tube Cancer, and Primary Peritoneal Cancer.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 542.026
Monoisotopic: 541.209196866
Chemical Formula
C27H32ClN5O5
Synonyms
  • Saracatinib
External IDs
  • AZD-0530
  • AZD0530
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AbemaciclibThe serum concentration of Abemaciclib can be increased when it is combined with Saracatinib.
AcalabrutinibThe serum concentration of Acalabrutinib can be increased when it is combined with Saracatinib.
AcenocoumarolThe serum concentration of Acenocoumarol can be increased when it is combined with Saracatinib.
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with Saracatinib.
AlbendazoleThe metabolism of Albendazole can be decreased when combined with Saracatinib.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolinamines
Alternative Parents
Benzodioxoles / Alkyl aryl ethers / Aminopyrimidines and derivatives / N-methylpiperazines / Oxanes / Aryl chlorides / Imidolactams / Benzenoids / Heteroaromatic compounds / Trialkylamines
show 7 more
Substituents
1,4-diazinane / Acetal / Alkyl aryl ether / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9KD24QGH76
CAS number
379231-04-6
InChI Key
OUKYUETWWIPKQR-UHFFFAOYSA-N
InChI
InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
IUPAC Name
N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
SMILES
CN1CCN(CCOC2=CC3=C(C(NC4=C(Cl)C=CC5=C4OCO5)=NC=N3)C(OC3CCOCC3)=C2)CC1

References

General References
Not Available
PubChem Compound
10302451
PubChem Substance
347828152
ChemSpider
8477917
BindingDB
12255
ChEMBL
CHEMBL217092
ZINC
ZINC000024811973
PDBe Ligand
H8H
Wikipedia
Saracatinib
PDB Entries
2h8h / 4qmx / 5vcx / 5vd3 / 6zgc

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedOtherDrinking, Alcohol1
2CompletedTreatmentAdenocarcinomas of the Gastroesophageal Junction / Esophageal Cancer, Stage IV / Gastric Adenocarcinoma / Recurrent Gastric Cancer / Stage III Esophageal Cancer / Stage III Gastric Cancer / Stage IV Gastric Cancer1
2CompletedTreatmentAdult Fibrosarcoma / Adult Liposarcoma / Adult Malignant Fibrous Histiocytoma / Adult Rhabdomyosarcoma / Dermatofibrosarcoma Protuberans / Leiomyosarcoma, Adult / Recurrent Adult Soft Tissue Sarcoma / Recurrent Uterine Sarcoma / Sarcoma, Endometrial Stromal / Stage III Adult Soft Tissue Sarcoma / Stage III Uterine Sarcoma / Stage IV Adult Soft Tissue Sarcoma / Stage IV Uterine Sarcoma / Uterine Carcinosarcoma / Uterine Leiomyosarcoma1
2CompletedTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentBone Neoplasm / Breast Cancer / Prostate Cancer1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0942 mg/mLALOGPS
logP3.53ALOGPS
logP3.2Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.61Chemaxon
pKa (Strongest Basic)7.79Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area90.44 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity143.64 m3·mol-1Chemaxon
Polarizability57.31 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-0000980000-615ead228ea73f05805e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1000290000-1ba98fa3e281ea8033df
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0104910000-69f28989b810c4541301
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000180000-fcc218bce19f033074ed
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-054p-9612670000-5fe16f7ebc68c5ee890f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-3114940000-67993e9248b80005aa3a
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-217.70403
predicted
DeepCCS 1.0 (2019)
[M+H]+220.0996
predicted
DeepCCS 1.0 (2019)
[M+Na]+226.0121
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 3A4
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Inhibitor
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Filppula AM, Neuvonen PJ, Backman JT: In vitro assessment of time-dependent inhibitory effects on CYP2C8 and CYP3A activity by fourteen protein kinase inhibitors. Drug Metab Dispos. 2014 Jul;42(7):1202-9. doi: 10.1124/dmd.114.057695. Epub 2014 Apr 8. [Article]

Drug created at October 20, 2016 20:49 / Updated at February 21, 2021 18:53