Chemical Component Summary

NameClomifene
Synonyms1-[(E)-2-chloro-1,2-diphenylethenyl]-4-methoxybenzene; clomiphene
Identifiers2-[4-[(~{E})-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy]-~{N},~{N}-diethyl-ethanamine
FormulaC26 H28 Cl N O
Molecular Weight405.96
TypeNON-POLYMER
Isomeric SMILESCCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3
InChIInChI=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+
InChIKeyGKIRPKYJQBWNGO-OCEACIFDSA-N

Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count0
Bond Count59
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB06735 
NameEnclomiphene
Groups investigational
Synonyms
  • Enclomifene
  • trans-Clomifene
  • Enclomiphene
  • Enclomifenum
  • trans-Clomiphene
Categories
  • Benzene Derivatives
  • Benzylidene Compounds
  • Clomiphene
  • Cytochrome P-450 CYP2D6 Substrates
  • Cytochrome P-450 Substrates
CAS number15690-57-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Cytochrome P450 2D6MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVD...unknownsubstrate
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL954
PubChem 1548953
ChEMBL CHEMBL954
ChEBI CHEBI:3752
CCDC/CSD CLOMCL10