OTAMIXABAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S173RED00L

Structure
InChI Key PFGVNLZDWRZPJW-OPAMFIHVSA-N
Smile COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1
InChI
InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26N4O4
Molecular Weight 446.51
AlogP 2.42
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 132.21
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Coagulation factor X inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - 0-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acute Coronary Syndrome 3 D054058 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 193153-04-7
ChEMBL CHEMBL46618
DrugBank DB06635
EPA CompTox DTXSID40172917
FDA SRS S173RED00L
Guide to Pharmacology 10732
PubChem 5496659
SureChEMBL SCHEMBL52983
ZINC ZINC000001908051
CONTENTS