GW813893

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1Y3JD5PEMS

Structure
InChI Key ACEFOQMQINFMRW-DYCFVMESSA-N
Smile C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O
InChI
InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22ClN3O5S2
Molecular Weight 447.97
AlogP 1.14
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 96.02
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 15800 - 4-4 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Venous Thromboembolism 2 D054556 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL220050
DrugBank DB07278
FDA SRS 1Y3JD5PEMS
PDB 895
SureChEMBL SCHEMBL675586
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