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

General Information of Drug (ID: DR3055)
Drug Name
Darexaban maleate
Synonyms
Darexaban maleate; UNII-03RTP2436R; 365462-24-4; 03RTP2436R; YM150; Darexaban maleate (JAN); SCHEMBL5406349; CHEMBL1922345; D09817; N-[2-[[4-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzoyl]amino]-3-hydroxyphenyl]-4-methoxybenzamide (2Z)-2-Butenedioate
Indication Acute coronary syndrome [ICD11: BA41-BA43] Discontinued in Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 590.6 Topological Polar Surface Area 169
Heavy Atom Count 43 Rotatable Bond Count 8
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
49843900
CAS Number
365462-24-4
TTD Drug ID
D07OGZ
Formula
C31H34N4O8
Canonical SMILES
CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3O)NC(=O)C4=CC=C(C=C4)OC.C(=C\\C(=O)O)\\C(=O)O
InChI
InChI=1S/C27H30N4O4.C4H4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20;5-3(6)1-2-4(7)8/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
WHMPMUVISXATBH-BTJKTKAUSA-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
Darexaban glucuronide DM017875 N. A. Unclear - Unclear 1 [3] , [2]
Darexaban maleate Metabolite M5 DM015816
12972262
Unclear - Unclear 1 [3]
Darexaban N-oxides DM017873 N. A. Unclear - Unclear 1 [4]
Darexaban maleate Metabolite M2 DM017874 N. A. Unclear - Unclear 2 [3]
Darexaban maleate Metabolite M4 DM017872 N. A. Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013039 Darexaban maleate Darexaban maleate Metabolite M5 Unclear - Unclear Unclear [3]
MR013041 Darexaban maleate Darexaban N-oxides Unclear - Unclear Unclear [4]
MR013043 Darexaban maleate Darexaban glucuronide Unclear - Unclear UGT1A10 ... [3], [2]
MR013044 Darexaban glucuronide Darexaban maleate Metabolite M2 Unclear - Unclear Unclear [3]
MR013045 Darexaban glucuronide Darexaban maleate Metabolite M4 Unclear - Unclear Unclear [3]
MR013040 Darexaban maleate Metabolite M5 Darexaban maleate Metabolite M4 Unclear - Unclear Unclear [3]
MR013042 Darexaban N-oxides Darexaban maleate Metabolite M2 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A10 (UGT1A10) DME0075 Homo sapiens
UD110_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800020726)
2 Identification of UDP-glucuronosyltransferases responsible for the glucuronidation of darexaban, an oral factor Xa inhibitor, in human liver and intestine
3 Absorption, metabolism and excretion of darexaban (YM150), a new direct factor Xa inhibitor in humans
4 Identification of enzymes responsible for the N-oxidation of darexaban glucuronide, the pharmacologically active metabolite of darexaban, and the glucuronidation of darexaban N-oxides in human liver microsomes

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