PKR inhibitor, negative control   Click here for help

GtoPdb Ligand ID: 6027

Synonyms: RNA-dependent protein kinase inhibitor, negative control
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 49.33
Molecular weight 338.96
XLogP 4.56
No. Lipinski's rules broken 0
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Canonical SMILES Clc1ccc2c(c1)C(=Cc1cc(Cl)c(c(c1)Cl)O)C(=O)N2
Isomeric SMILES Clc1ccc2c(c1)/C(=C/c1cc(Cl)c(c(c1)Cl)O)/C(=O)N2
InChI InChI=1S/C15H8Cl3NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3-
1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat Biotechnol, 29 (11): 1039-45. [PMID:22037377]
2. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem J, 451 (2): 313-28. [PMID:23398362]