RIVAROXABAN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC B01AF01
UNII 9NDF7JZ4M3

Structure

InChI Key KGFYHTZWPPHNLQ-AWEZNQCLSA-N
Smiles O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1
InChI
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18ClN3O5S
Molecular Weight 435.89
AlogP 2.52
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 88.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Coagulation factor X inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 0.7-860 - 0.4-3.4 -3-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.7-700 - 0.4-3.4 -3-100
Oryctolagus cuniculus
- 510-860 - - -

Target Conservation

Protein: Coagulation factor X
Description: Coagulation factor X
Organism : Homo sapiens
P00742 ENSG00000126218

Related Entries

Cross References

Resources Reference
ChEBI 68579
ChEMBL CHEMBL198362
DrugBank DB06228
DrugCentral 4182
FDA SRS 9NDF7JZ4M3
Guide to Pharmacology 6388
KEGG D07086
PDB RIV
PubChem 9875401
SureChEMBL SCHEMBL3914
ZINC ZINC000003964126
CONTENTS