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

General Information of Drug (ID: DR0756)
Drug Name
Fulvestrant
Synonyms
Faslodex; Fulvestrant; Fulvestrant (Faslodex); ZD 182780; ZD 9238; ZD-9238; ZM 182780; ZM-182780; (7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol; 129453-61-8; 7alpha-(9-((4,4,5,5,5-Pentafluoropentyl)sulfinyl)nonyl)estra-1,3,5(10)-triene-3,17beta-diol; C32H47F5O3S; CHEBI:31638; CHEMBL1358; DSSTox_CID_2369; DSSTox_GSID_22369; DSSTox_RID_76561; ICI 182,780; ICI-182780; Ici 182780
Indication Breast cancer [ICD11: 2C60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 606.8 Topological Polar Surface Area 76.7
Heavy Atom Count 41 Rotatable Bond Count 14
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
104741
PubChem SID
534986 ; 7848224 ; 8139859 ; 10233578 ; 12014659 ; 14887338 ; 14911923 ; 44434356 ; 47213214 ; 48421875 ; 49965830 ; 53787559 ; 56310723 ; 56311014 ; 56311884 ; 56311948 ; 56312955 ; 57337809 ; 57570890 ; 74779769 ; 87325152 ; 90341164 ; 92309278 ; 92721810 ; 93165800 ; 93167154 ; 99437215 ; 103447197 ; 104054514 ; 104372812 ; 121360934 ; 124757068 ; 125163872 ; 126627510 ; 126634728 ; 126666851 ; 129538438 ; 134337631 ; 135060458 ; 135650370 ; 135916581 ; 136946608 ; 137267475 ; 143493372 ; 144115998 ; 144204490 ; 144209802 ; 144213958 ; 152035088 ; 152233184
ChEBI ID
ChEBI:31638
CAS Number
129453-61-8
TTD Drug ID
D0JO7Y
Formula
C32H47F5O3S
Canonical SMILES
CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
InChI
1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
InChIKey
VWUXBMIQPBEWFH-WCCTWKNTSA-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
Fulvestrant glucuronide metabolite DM002453 N. A. Conjugation - Glucuronidation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001097 Fulvestrant Fulvestrant glucuronide metabolite Conjugation - Glucuronidation UGT [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A4 (UGT1A4) DME0048 Homo sapiens
UD14_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[3]
References
1 Fulvestrant was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Fulvestrant: pharmacologic profile versus existing endocrine agents for the treatment of breast cancer. Ann Pharmacother. 2006 Sep;40(9):1572-83.
3 Inactivation of the pure antiestrogen fulvestrant and other synthetic estrogen molecules by UDP-glucuronosyltransferase 1A enzymes expressed in breast tissue. Mol Pharmacol. 2006 Mar;69(3):908-20.

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