DAREXABAN

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Synonyms
Status
Molecule Category Free-form
UNII KF322K101S

Structure

InChI Key IJNIQYINMSGIPS-UHFFFAOYSA-N
Smiles COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1
InChI
InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30N4O4
Molecular Weight 474.56
AlogP 4.05
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 94.14
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Coagulation factor X inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 54.6 - 31 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 54.6 - 31 -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1922235
DrugBank DB12289
FDA SRS KF322K101S
PubChem 9912771
SureChEMBL SCHEMBL2227024
ZINC ZINC000070647134
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