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

General Information of Drug (ID: DR5361)
Drug Name
Betrixaban
Synonyms
Betrixaban; 330942-05-7; Bevyxxa; PRT054021; UNII-74RWP7W0J9; PRT 054021; 74RWP7W0J9; betrixaban maleate; Betrixaban [USAN:INN]; betrixaban/; Betrixaban (USAN); D0J0BU; SCHEMBL158591; QCR-99; GTPL9602; EX-A358; MolPort-009-682-948; ZINC3
Indication Venous thromboembolism [ICD11: BD72] Approved [1]
Cerebral ischaemia [ICD11: ICD11: 8B1Z] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 451.9 Topological Polar Surface Area 107
Heavy Atom Count 32 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
10275777
ChEBI ID
CHEBI:140421
CAS Number
330942-05-7
TTD Drug ID
D0J0BU
Formula
C23H22ClN5O3
Canonical SMILES
CN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl
InChI
InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
InChIKey
XHOLNRLADUSQLD-UHFFFAOYSA-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
N-desmethylbetrixaban DM016011
22596429
Oxidation - N-demethylation 1 [4]
O-desmethylbetrixaban DM016274
68023123
Oxidation - Demethylation 1 [4]
PRT062802 DM015423
4913141
Hydrolysis - Hydrolysis 1 [4]
PRT062803 DM015997
21906241
Hydrolysis - Hydrolysis 1 [4]
PRT062799 DM016273
68023122
Oxidation - Demethylation 2 [4]
PRT062982 DM016844
156613992
Oxidation - Hydroxylation 2 [4]
PRT063069 DM017561 N. A. Oxidation - Sulfoxidation 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008938 Betrixaban PRT062803 Hydrolysis - Hydrolysis Unclear [4]
MR008942 Betrixaban O-desmethylbetrixaban Oxidation - Demethylation CYP3A4 [4]
MR008943 Betrixaban N-desmethylbetrixaban Oxidation - N-demethylation CYP2D6 [4]
MR008944 Betrixaban PRT062802 Hydrolysis - Hydrolysis Unclear [4]
MR008939 PRT062803 PRT062982 Oxidation - Hydroxylation Unclear [4]
MR008941 PRT062803 PRT062799 Oxidation - Demethylation Unclear [4]
MR008940 PRT062982 PRT063069 Oxidation - Sulfoxidation Unclear [4]
⏷ 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
Cytochrome P450 (CYP) DMEN060 . Not Available Not Available [3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2018
2 ClinicalTrials.gov (NCT01583218) Acute Medically Ill VTE Prevention With Extended Duration Betrixaban Study (The APEX Study). U.S. National Institutes of Health.
3 Betrixaban for first-line venous thromboembolism prevention in acute medically ill patients with risk factors for venous thromboembolism
4 DrugBank(Pharmacology-Metabolism):Betrixaban

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