PCI-27483

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 6073LCU8U9

Structure

InChI Key WDJHHCAKBRKCLW-IBGZPJMESA-N
Smiles N=C(N)c1ccc2nc(-c3cc(CC(=O)N[C@@H](CC(=O)O)C(=O)O)cc(-c4cc(S(N)(=O)=O)ccc4O)c3O)[nH]c2c1
InChI
InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24N6O9S
Molecular Weight 596.58
AlogP 0.83
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 10.0
Polar Surface Area 282.87
Molecular species ZWITTERION
Aromatic Rings 4.0
Heavy Atoms 42.0

Pharmacology

Mechanism of Action Action Reference
Coagulation factor VII inhibitor INHIBITOR PubMed

Target Conservation

Protein: Coagulation factor VII
Description: Coagulation factor VII
Organism : Homo sapiens
P08709 ENSG00000057593

Cross References

Resources Reference
ChEMBL CHEMBL4297315
DrugBank DB13000
FDA SRS 6073LCU8U9
PubChem 135425273
SureChEMBL SCHEMBL1303963
ZINC ZINC000043100782
CONTENTS