bisindolylmaleimide IV   

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].
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key DQYBRTASHMYDJG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
Synonyms
arcyriarubin A | BIM IV | Ro-31-6233 | RO-316233
Comments
This compound inhibits both isoforms of PKCβ [3].
Database Links
CAS Registry No. 119139-23-0
ChEMBL Ligand CHEMBL266487
GtoPdb PubChem SID 178102560
PubChem CID 2399
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