GSK650394   Click here for help

GtoPdb Ligand ID: 8040

Synonyms: GSK-650394
PDB Ligand
Compound class: Synthetic organic
Comment: GSK650394 [1] is an inhibitor of the AGC protein kinases SGK1 and SGK2.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 65.98
Molecular weight 382.17
XLogP 7.27
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1
Isomeric SMILES OC(=O)c1ccc(cc1C1CCCC1)c1c[nH]c2c1cc(cn2)c1ccccc1
InChI InChI=1S/C25H22N2O2/c28-25(29)20-11-10-18(12-21(20)17-8-4-5-9-17)23-15-27-24-22(23)13-19(14-26-24)16-6-2-1-3-7-16/h1-3,6-7,10-15,17H,4-5,8-9H2,(H,26,27)(H,28,29)
InChI Key WVSBGSNVCDAMCF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Synonyms Click here for help
GSK-650394
Database Links Click here for help
CAS Registry No. 890842-28-1
ChEMBL Ligand CHEMBL558642
GtoPdb PubChem SID 249565720
PubChem CID 25022668
RCSB PDB Ligand DXV
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Tocris
GSK 650394
Cat. No. 3572