bisindolylmaleimide IV   Click here for help

GtoPdb Ligand ID: 5937

Synonyms: arcyriarubin A | BIM IV | Ro-31-6233 | RO-316233
Compound class: Synthetic organic
Comment: This compound inhibits both isoforms of PKCβ [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 77.75
Molecular weight 327.1
XLogP 3.18
No. Lipinski's rules broken 0
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Canonical SMILES O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Isomeric SMILES O=C1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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]
3. Tanaka M, Sagawa S, Hoshi J, Shimoma F, Matsuda I, Sakoda K, Sasase T, Shindo M, Inaba T. (2004)
Synthesis of anilino-monoindolylmaleimides as potent and selective PKCbeta inhibitors.
Bioorg Med Chem Lett, 14 (20): 5171-4. [PMID:15380221]