DAREXABAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KF322K101S

Structure
InChI Key IJNIQYINMSGIPS-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Coagulation factor X inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 55 - 11000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Venous Thromboembolism 3 D054556 ClinicalTrials
Atrial Fibrillation 2 D001281 ClinicalTrials
Acute Coronary Syndrome 2 D054058 ClinicalTrials
Thromboembolism 2 D013923 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 365462-23-3
ChEMBL CHEMBL1922235
DrugBank DB12289
FDA SRS KF322K101S
PubChem 9912771
SureChEMBL SCHEMBL2227024
ZINC ZINC000070647134
CONTENTS