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)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
protein kinase C beta Primary target of this compound Hs Inhibitor Inhibition 6.7 pIC50 - 3
pIC50 6.7 (IC50 2.12x10-7 M) [3]
Description: PKCβ2 isoform