Details of the Drug

General Information of Drug (ID: DM6T5K4)

• Drug Name: 3-phenyl-4-(phenylamino)-1H-pyrrole-2,5-dione
• Synonyms: SKF-62604; 4-arylmaleimide deriv. 6a; phenyl anilino-maleimide; AC1O6ZNQ; BDBM8218; SCHEMBL5682682; CHEMBL346551; HMS3303J01; HMS3305A03; 2-(Phenylamino)-3-phenylmaleimide; 3-anilino-4-phenylpyrrole-2,5-dione; NCGC00241898-01; AB01092118-01

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); 264.28
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H12N2O2
  IUPAC Name: 3-anilino-4-phenylpyrrole-2,5-dione
  Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC2=O)NC3=CC=CC=C3
  InChI: InChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)
  InChIKey: ACQZMAJVOPRMQJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6539451
  TTD ID: D01OJG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycogen synthase kinase-3 beta (GSK-3B)	TTRSMW9	GSK3B_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycogen synthase kinase-3 beta (GSK-3B)	DTT	GSK3B	1.26E-01	-0.23	-0.77

References

• [1] Novel GSK-3beta inhibitors from sequential virtual screening. Bioorg Med Chem. 2008 Jan 15;16(2):636-43.