CLOMIPHENE

Search structure
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 1HRS458QU2

Structure
InChI Key GKIRPKYJQBWNGO-UHFFFAOYSA-N
Smile CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28ClNO
Molecular Weight 405.97
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

Primary Target
Estrogen receptor-α
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 34.34
Enzyme
12400 - - - 34.34
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 1956 -
Other cytosolic protein
129200 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 13489.63 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 126.33
Unclassified protein
- 2410-29300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypogonadism 2 D007006 ClinicalTrials
Hypogonadism 2 D007006 ClinicalTrials
Anovulation 1 D000858 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 911-45-5
ChEBI 3752
ChEMBL CHEMBL2355051
DrugBank DB00882
DrugCentral 700
EPA CompTox DTXSID1022843
FDA SRS 1HRS458QU2
Human Metabolome Database HMDB15020
Guide to Pharmacology 4159
PubChem 2800
SureChEMBL SCHEMBL34893
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