NAV

Enclomiphene

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

Identification

Generic Name
Enclomiphene
DrugBank Accession Number
DB06735
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 405.97
Monoisotopic: 405.1859422
Chemical Formula
C26H28ClNO
Synonyms
  • Enclomifene
  • Enclomifeno
  • Enclomifenum
  • Enclomiphene
  • trans-Clomifene
  • trans-Clomiphene
External IDs
  • RMI 16,289
  • RMI-16,289
  • RMI-16289
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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
AbataceptThe metabolism of Enclomiphene can be increased when combined with Abatacept.
AbirateroneThe metabolism of Enclomiphene can be decreased when combined with Abiraterone.
AcebutololThe metabolism of Enclomiphene can be decreased when combined with Acebutolol.
AcetaminophenThe metabolism of Enclomiphene can be decreased when combined with Acetaminophen.
AdagrasibThe metabolism of Enclomiphene can be decreased when combined with Adagrasib.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Enclomiphene citrateJ303A6U9Y67599-79-3PYTMYKVIJXPNBD-BTKVJIOYSA-N
International/Other Brands
Androxal

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Stilbenes
Sub Class
Not Available
Direct Parent
Stilbenes
Alternative Parents
Diphenylmethanes / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Trialkylamines / Vinyl chlorides / Chloroalkenes / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Amine / Aromatic homomonocyclic compound / Benzenoid / Chloroalkene / Diphenylmethane / Ether / Haloalkene / Hydrocarbon derivative / Monocyclic benzene moiety
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
R6D2UI4FLS
CAS number
15690-57-0
InChI Key
GKIRPKYJQBWNGO-OCEACIFDSA-N
InChI
InChI=1S/C26H28ClNO/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3/b26-25+
IUPAC Name
(2-{4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy}ethyl)diethylamine
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=C(\Cl)C1=CC=CC=C1)\C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
1548953
PubChem Substance
347827784
ChemSpider
1265967
BindingDB
55354
ChEMBL
CHEMBL954
ZINC
ZINC000001530601
PharmGKB
PA449046
PDBe Ligand
53Q
Wikipedia
Enclomifene
PDB Entries
5cqj / 6vpf / 7jlj

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedNot AvailableEffect of Treatment on Bone Mineral Density1
3CompletedTreatmentSecondary Hypogonadotrophic hypogonadism6
2CompletedTreatmentAcquired Hypogonadotropic Hypogonadism / Obesity1
2CompletedTreatmentHypogonadism / Testosterone Deficiency1
2CompletedTreatmentSecondary Hypogonadotrophic hypogonadism3

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000414 mg/mLALOGPS
logP6.08ALOGPS
logP6.47Chemaxon
logS-6ALOGPS
pKa (Strongest Basic)9.31Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area12.47 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity133.76 m3·mol-1Chemaxon
Polarizability46.93 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-0bwa-3920000000-b910c0ca6dcc91904891
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0udi-3791200000-10b7e9d8e7060a9b1b01
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-1700900000-a6f12bd1309cc00c965d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000100000-0006bfd0317a57de54bf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kcr-9215500000-bcd297fdc071ffc8f88d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-9601100000-f4e27cfc7b768fe2877c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ff0-9300000000-4dbfd23b04a5a8241370
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0540-7049000000-4b6a70ec6d2ec01ac700
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-196.14763
predicted
DeepCCS 1.0 (2019)
[M+H]+198.50563
predicted
DeepCCS 1.0 (2019)
[M+Na]+205.68388
predicted
DeepCCS 1.0 (2019)

Enzymes

Details1. Cytochrome P450 2D6
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Substrate
General Function
Steroid hydroxylase activity
Specific Function
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic...
Gene Name
CYP2D6
Uniprot ID
P10635
Uniprot Name
Cytochrome P450 2D6
Molecular Weight
55768.94 Da
References
  1. Ghobadi C, Gregory A, Crewe HK, Rostami-Hodjegan A, Lennard MS: CYP2D6 is primarily responsible for the metabolism of clomiphene. Drug Metab Pharmacokinet. 2008;23(2):101-5. [Article]

Drug created at August 30, 2010 19:38 / Updated at February 21, 2021 18:52