betrixaban   Click here for help

GtoPdb Ligand ID: 9602

Synonyms: Bevyxxa® | compound 11 [PMID: 19297154] | PRT-054021 | PRT054021
Approved drug
betrixaban is an approved drug (FDA (2017))
Compound class: Synthetic organic
Comment: Betrixaban is an orally active direct factor Xa inhibitor [1], that is an approved anti-thrombotic.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 107.41
Molecular weight 451.14
XLogP 5.04
No. Lipinski's rules broken 1
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Canonical SMILES COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C
Isomeric SMILES COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
8950 betrixaban
Synonyms Click here for help
Bevyxxa® | compound 11 [PMID: 19297154] | PRT-054021 | PRT054021
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9038746
Reactome Reaction Reactome logo R-HSA-9015122, R-HSA-9015111
Other databases
BindingDB Ligand 50249298
CAS Registry No. 330942-05-7 (source: PubChem)
ChEMBL Ligand CHEMBL512351
DrugCentral Ligand 5241
GtoPdb PubChem SID 340590232
PubChem CID 10275777
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UniChem Compound Search for chemical match using the InChIKey XHOLNRLADUSQLD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XHOLNRLADUSQLD-UHFFFAOYSA-N