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
• #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
  TTD ID: D0X2DH

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]

References

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