CLOMIPHENE CITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 1B8447E7YI
Parent Compound: CLOMIPHENE

Structure
InChI Key PYTMYKVIJXPNBD-UHFFFAOYSA-N
Smile CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C26H28ClNO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H36ClNO8
Molecular Weight 598.09
AlogP 6.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor alpha modulator
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 12.09
Enzyme
12100 - - - 12.09
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -25.73-7.32

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Azoospermia 3 D053713 ClinicalTrials
Rotator Cuff Injuries 2 D000070636 ClinicalTrials
Acromegaly 2 D000172 ClinicalTrials
Hypogonadism 2 D007006 ClinicalTrials
Anovulation 2 D000858 ClinicalTrials
Hypogonadism 2 D007006 ClinicalTrials
Infertility, Female 2 D007247 ClinicalTrials
Paget Disease, Extramammary 2 D010145 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Leiomyoma 1 D007889 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
15.07
Injury, poisoning and procedural complications
8.45
Psychiatric disorders
7.94
Nervous system disorders
7.5
General disorders and administration site conditions
6.62
Reproductive system and breast disorders
6.49
Vascular disorders
5.74
Gastrointestinal disorders
5.17
Cardiac disorders
4.1
Investigations
3.78
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.53
Eye disorders
3.47
Congenital, familial and genetic disorders
3.4
Musculoskeletal and connective tissue disorders
2.59
Skin and subcutaneous tissue disorders
2.46
Respiratory, thoracic and mediastinal disorders
2.33
Endocrine disorders
2.14
Metabolism and nutrition disorders
2.02

Cross References

Resources Reference
ChEBI 3753
ChEMBL CHEMBL3185958
EPA CompTox DTXSID8020337
FDA SRS 1B8447E7YI
ZINC ZINC01530601
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