OTAMIXABAN

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Synonyms
Status
Molecule Category Free-form
UNII S173RED00L
EPA CompTox DTXSID40172917

Structure

InChI Key PFGVNLZDWRZPJW-OPAMFIHVSA-N
Smiles 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

Mechanism of Action Action Reference
Coagulation factor X inhibitor 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
- - - 0.4-301 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.4-301 -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL46618
DrugBank DB06635
FDA SRS S173RED00L
Guide to Pharmacology 10732
PubChem 5496659
SureChEMBL SCHEMBL52983
ZINC ZINC000001908051
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