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

General Information of Drug (ID: DR0646)
Drug Name
Estriol
Synonyms
Estratriol; Estriel; Estriolo [Italian]; Follicular hormone hydrate; Gynaesan; Hemostyptanon; Hormomed; Hormonin; Klimoral; Destriol; Deuslon-A; Oestratriol; Oestriol; Oestriolum; Orestin; Orgastyptin; Ortho-Gynest; Overstin; Ovestin; Ovestrion; Stiptanon; Synapause; Theelol; Thulol; Tridestrin; Trihydroxyestrin; Trihydroxyoestrin; Triodurin; Triovex; estriol; 16-alpha,17-beta-Estriol; 16-alpha-Hydroxyestradiol; 16alpha,17beta-Estriol; 16alpha,17beta-Oestriol; 16alpha-Hydroxyestradiol; 16alpha-Hydroxyoestradiol; 50-27-1; Aacifemine; Holin
Indication Menopausal disorder [ICD11: GA30] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 288.4 Topological Polar Surface Area 60.7
Heavy Atom Count 21 Rotatable Bond Count 0
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
5756
PubChem SID
7560 ; 76927 ; 584764 ; 841394 ; 7847253 ; 7887358 ; 7979190 ; 8137982 ; 8153533 ; 11467124 ; 11468244 ; 11486792 ; 11532998 ; 11533161 ; 12146109 ; 14714952 ; 14775632 ; 24870296 ; 24894391 ; 24894396 ; 29224792 ; 46505881 ; 47213247 ; 47574682 ; 47796320 ; 48020302 ; 48170725 ; 48319784 ; 48421872 ; 49699292 ; 49965926 ; 50123986 ; 50280479 ; 53788422 ; 56313619 ; 57322932 ; 57392874 ; 57650833 ; 85788080 ; 87569501 ; 92126038 ; 92297526 ; 92309096 ; 93165576 ; 103469357 ; 103914539 ; 104253633 ; 104310166 ; 121363709 ; 124757812
ChEBI ID
ChEBI:27974
CAS Number
50-27-1
TTD Drug ID
D0Z1FX
Formula
C18H24O3
Canonical SMILES
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
InChI
1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKey
PROQIPRRNZUXQM-ZXXIGWHRSA-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
16alpha,17-beta-estriol 17-beta-D-glucuronide DM000889
53480453
Conjugation - Glucuronidation 1 [4]
2-hydroxy estriol DM000891
10335195
Oxidation - 2-Hydroxylation 1 [4]
Estriol 3-sulfate 16-glucuronide DM000890
151223
Unclear 1 [4]
Estriol-16-glucuronide DM000886
122281
Conjugation - Glucuronidation 1 [4]
Estriol-17-glucuronide DM000887
151453
Conjugation - Glucuronidation 1 [4]
Estriol-3-glucuronide DM000888
160638
Conjugation - Glucuronidation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000960 Estriol Estriol-16-glucuronide Conjugation - Glucuronidation Unclear [4]
MR000961 Estriol Estriol-17-glucuronide Conjugation - Glucuronidation Unclear [4]
MR000962 Estriol Estriol-3-glucuronide Conjugation - Glucuronidation Unclear [4]
MR000963 Estriol 16alpha,17-beta-estriol 17-beta-D-glucuronide Conjugation - Glucuronidation Unclear [4]
MR000964 Estriol Estriol 3-sulfate 16-glucuronide Unclear Unclear [4]
MR000965 Estriol 2-hydroxy estriol Oxidation - 2-Hydroxylation Unclear [4]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[2]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[3]
References
1 National Center for Advancing Translational Science-Inxight: drug (FB33469R8E)
2 Expression and cyclic variability of CYP3A4 and CYP3A7 isoforms in human endometrium and cervix during the menstrual cycle. Drug Metab Dispos. 2003 Jan;31(1):1-6.
3 Stimulation of microsomal uridine diphosphate glucuronyltransferase by glucuronic acid derivatives. Biochem J. 1974 Apr;139(1):243-9.
4 DrugBank(Pharmacology-Metabolism)Estriol

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