betrixaban

Ligand id: 9602

Name: betrixaban

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 107.41
Molecular weight 451.14
XLogP 4.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
N-(5-chloropyridin-2-yl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methoxybenzamide
International Nonproprietary Names
INN number INN
8950 betrixaban
Synonyms
Bevyxxa® | compound 11 [PMID: 19297154] | PRT-054021 | PRT054021
Database Links
BindingDB Ligand 50249298
CAS Registry No. 330942-05-7 (source: PubChem)
ChEMBL Ligand CHEMBL512351
GtoPdb PubChem SID 340590232
PubChem CID 10275777
Search Google for chemical match using the InChIKey XHOLNRLADUSQLD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XHOLNRLADUSQLD
Search PubMed clinical trials betrixaban
Search PubMed titles betrixaban
Search PubMed titles/abstracts betrixaban
Search UniChem for chemical match using the InChIKey XHOLNRLADUSQLD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XHOLNRLADUSQLD
Comments
Betrixaban is an orally active direct factor Xa inhibitor [1], that is an approved anti-thrombotic.