PCI-27483

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6073LCU8U9

Structure
InChI Key WDJHHCAKBRKCLW-IBGZPJMESA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Coagulation factor VII inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 2 D010190 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 871266-63-6
ChEMBL CHEMBL4297315
DrugBank DB13000
FDA SRS 6073LCU8U9
PubChem 135425273
SureChEMBL SCHEMBL1303963
ZINC ZINC000043100782
CONTENTS