compound 8 [PMID: 17480064]   Click here for help

GtoPdb Ligand ID: 8763

Synonyms: PHA-767491 [2]
PDB Ligand
Compound class: Synthetic organic
Comment: Compound 8 is reported in [1] as an inhibitor of mitogen-activated protein kinase-activated protein kinase 2 (MK-2; MAPKAPK2). Montagnoli et al. (2008) report the antitumour activity of this compound [2].
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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 1
Topological polar surface area 57.78
Molecular weight 213.09
XLogP 1.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NCCc2c1cc([nH]2)c1ccncc1
Isomeric SMILES O=C1NCCc2c1cc([nH]2)c1ccncc1
InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
InChI Key DKXHSOUZPMHNIZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Synonyms Click here for help
PHA-767491 [2]
Database Links Click here for help
ChEMBL Ligand CHEMBL225519
GtoPdb PubChem SID 252827421
PubChem CID 11715767
RCSB PDB Ligand 0SY
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