GW 627368   Click here for help

GtoPdb Ligand ID: 1953

Synonyms: GW-627368 | GW627368 | saccharic acid
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GW 627368 is a selective EP4 receptor competitive antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 110.39
Molecular weight 544.17
XLogP 5.03
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1
Isomeric SMILES CCOc1c2C(=O)N(Cc2c(c2c1cccc2)OCC)c1ccc(cc1)CC(=O)NS(=O)(=O)c1ccccc1
InChI InChI=1S/C30H28N2O6S/c1-3-37-28-23-12-8-9-13-24(23)29(38-4-2)27-25(28)19-32(30(27)34)21-16-14-20(15-17-21)18-26(33)31-39(35,36)22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3,(H,31,33)
InChI Key XREWXJVMYAXCJV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]-N-phenylsulfonylacetamide
Synonyms Click here for help
GW-627368 | GW627368 | saccharic acid
Database Links Click here for help
CAS Registry No. 439288-66-1
ChEMBL Ligand CHEMBL1628527
GtoPdb PubChem SID 135650338
PubChem CID 5312130
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Tocris
GW 627368
Cat. No. 4668