BETRIXABAN

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Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B01AF04
UNII: 74RWP7W0J9

Structure
InChI Key XHOLNRLADUSQLD-UHFFFAOYSA-N
Smile COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22ClN5O3
Molecular Weight 451.91
AlogP 4.14
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 107.41
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Coagulation factor X inhibitor PubMed PubMed
Primary Target
coagulation factor X
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 18-18000 - 0-0 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 8900-8900 - 1800 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Venous Thromboembolism 4 D054556 ClinicalTrials
Atrial Fibrillation 2 D001281 ClinicalTrials
Hemorrhage 2 D006470 ClinicalTrials
Atrial Flutter 2 D001282 ClinicalTrials
Thromboembolism 2 D013923 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 330942-05-7
ChEBI 140421
ChEMBL CHEMBL512351
DrugBank DB12364
DrugCentral 5241
FDA SRS 74RWP7W0J9
Guide to Pharmacology 9602
PubChem 10275777
SureChEMBL SCHEMBL158591
ZINC ZINC000030691754
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