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

General Information of Drug (ID: DR3304)
Drug Name
(Z)-endoxifen
Synonyms
Endoxifen; Z-Endoxifen; 4-Hydroxy-N-desmethyltamoxifen; (E/Z)-Endoxifen; Endoxifen Z-Isomer; UNII-46AF8680RC; N-Desmethyl-4-hydroxytamoxifen; 110025-28-0; 4-Hydroxy-N-desmethyl-tamoxifen; CHEBI:80555; 46AF8680RC; 4OHNDtam; W-200834; N-Desmethyl-4-hydroxy Tamoxifen (approx. 1:1 E/Z Mixture); (Z)-4-Hydroxy-N-desmethyl Tamoxifen (contains up to 10% E isomer); 4-hydroxy-N-desmethyltamoxifen, (Z)-isomer; (Z)-Endoxifen; Endoxifen(E/Z=1:1); 4-hydroxy-N-desmethyl tamoxifen; SCHEMBL10107920; CHEMBL1093458; GTPL10203; EX-A645
Indication Breast cancer [ICD11: 2C60-2C6Y] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 373.5 Topological Polar Surface Area 41.5
Heavy Atom Count 28 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
10090750
ChEBI ID
CHEBI:80555
CAS Number
112093-28-4
Formula
C25H27NO2
Canonical SMILES
CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3
InChI
InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
InChIKey
MHJBZVSGOZTKRH-IZHYLOQSSA-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
Endoxifen O Glucuronide DM018442 N. A. Unclear - Unclear 1 [2]
EndoxifenSulfate DM018443 N. A. Unclear - Unclear 1 [2]
Norendoxifen DM000008
68037237
Oxidation - Demethylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013143 (Z)-endoxifen Endoxifen O Glucuronide Unclear - Unclear UGT [2]
MR013144 (Z)-endoxifen EndoxifenSulfate Unclear - Unclear SULT1A1 [2]
MR013145 (Z)-endoxifen Norendoxifen Oxidation - Demethylation Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[2]
UDP-glucuronosyltransferase 1A10 (UGT1A10) DME0075 Homo sapiens
UD110_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
UDP-glucuronyltransferase (UGT) DMEN064 . Not Available Not Available [2]
⏷ Show the Full List of 6  DME(s)
References
1 ClinicalTrials.gov (NCT03931928) Genotype and Phenotype Guided Supplementation of TAMoxifen Standard Therapy With ENDOXifen in Breast Cancer Patients
2 Clinical pharmacokinetics and pharmacogenetics of tamoxifen and endoxifen

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