Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0577)
Drug Name
Enclomiphene
Synonyms
Enclomifene; Enclomifeno; Enclomifeno [INN-Spanish]; Enclomifenum; Enclomifenum [INN-Latin]; Enclomiphene; Enclomiphene (USAN); Enclomiphene [USAN]; GKIRPKYJQBWNGO-OCEACIFDSA-N; ISOMER B; R6D2UI4FLS; RMI 16,289; Transclomifenum; Cisclomiphene; Clomifene; Clomifeno; Transclomiphene; clomiphene; trans-Clomifene; trans-Clomiphene; (E)-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine; 15690-57-0; 911-45-5; ICI 46476; UNII-R6D2UI4FLS; trans-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine
Indication Female infertility [ICD11: GA31] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 406 Topological Polar Surface Area 12.5
Heavy Atom Count 29 Rotatable Bond Count 9
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
1548953
PubChem SID
9134 ; 7978971 ; 7979159 ; 8653308 ; 14879465 ; 32248894 ; 46504463 ; 47646665 ; 48094648 ; 48169503 ; 48169504 ; 49698470 ; 50058156 ; 50085975 ; 50124218 ; 51092022 ; 56352921 ; 57409058 ; 75735317 ; 81093254 ; 85788573 ; 90452382 ; 92309293 ; 93165675 ; 93166374 ; 96025593 ; 103249489 ; 104057024 ; 110525086 ; 117721819 ; 124800080 ; 124893612 ; 126690411 ; 131742069 ; 135024045 ; 139650876 ; 164235770 ; 175270141 ; 176484319 ; 179148468 ; 184022027 ; 198962245 ; 223365954 ; 224924849 ; 250133940 ; 251960682 ; 252635354
ChEBI ID
ChEBI:3752
CAS Number
911-45-5
TTD Drug ID
D0CT9Y
Formula
C26H28ClNO
Canonical SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3
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+
InChIKey
GKIRPKYJQBWNGO-OCEACIFDSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
4-hydroxy clomiphenet DM006610 N. A. Oxidation - Hydroxlyation 1 [2]
Clomiphenet of N-demethylation DM006611 N. A. Oxidation - Demethylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007130 Enclomiphene 4-hydroxy clomiphenet Oxidation - Hydroxlyation CYP2D6 [2]
MR007131 Enclomiphene Clomiphenet of N-demethylation Oxidation - Demethylation CYP3A4 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT02479256) Clomiphene Citrate Versus Tamoxifen for Ovulation Induction in PCOs.
2 CYP2D6 is primarily responsible for the metabolism of clomiphene. Drug Metab Pharmacokinet. 2008;23(2):101-5.

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