Details of the Drug

General Information of Drug (ID: DMP0RYB)

Drug Name
3-(1H-Indol-3-yl)-4-phenylamino-pyrrole-2,5-dione
Synonyms CHEMBL183310; 3-(1H-Indol-3-yl)-4-phenylamino-pyrrole-2,5-dione; SCHEMBL7840920; 1H-Pyrrole-2,5-dione,3-(1H-indol-3-yl)-4-(phenylamino)-; BDBM50153450; 257878-66-3
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 303.3
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H13N3O2
IUPAC Name
3-anilino-4-(1H-indol-3-yl)pyrrole-2,5-dione
Canonical SMILES
C1=CC=C(C=C1)NC2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H13N3O2/c22-17-15(13-10-19-14-9-5-4-8-12(13)14)16(18(23)21-17)20-11-6-2-1-3-7-11/h1-10,19H,(H2,20,21,22,23)
InChIKey
WEKZVKNLORTLQV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17814743
ChEBI ID
CHEMBL183310
TTD ID
D0X2DH
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein kinase C alpha (PRKCA) TTFJ8Q1 KPCA_HUMAN Inhibitor [1]
Protein kinase C beta (PRKCB) TTYPXQF KPCB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis of anilino-monoindolylmaleimides as potent and selective PKCbeta inhibitors. Bioorg Med Chem Lett. 2004 Oct 18;14(20):5171-4.