Details of the Drug

General Information of Drug (ID: DM3I15D)

• Drug Name: 3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione
• Synonyms: CHEMBL151212; 91567-07-6; 3-(4-aminophenyl)-3-ethylpyrrolidine-2,5-dione; 3-Apepd; AC1Q6LV5; AC1L3YU4; 3-(4-aminophenyl)-3-ethyl-2,5-Pyrrolidinedione; 3-(4'-Aminophenyl)-3-ethylpyrollidine-2,5-dione; 3-(4-Amino-phenyl)-3-ethyl-pyrrolidine-2,5-dione; SCHEMBL9634038; BDBM50025152; DA-01219; FT-0716174; 3-Ethyl-3-(4-aminophenyl)pyrrolidine-2,5-dione; 2,5-Pyrrolidinedione, 3-(4-aminophenyl)-3-ethyl-

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); 218.25
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H14N2O2
  IUPAC Name: 3-(4-aminophenyl)-3-ethylpyrrolidine-2,5-dione
  Canonical SMILES: CCC1(CC(=O)NC1=O)C2=CC=C(C=C2)N
  InChI: InChI=1S/C12H14N2O2/c1-2-12(7-10(15)14-11(12)16)8-3-5-9(13)6-4-8/h3-6H,2,7,13H2,1H3,(H,14,15,16)
  InChIKey: QPJZAHJMZUCFMF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 124662
  CAS Number: 91567-07-6
  TTD ID: D0Z1OI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

References

• [1] Synthesis and biochemical evaluation of analogues of aminoglutethimide based on phenylpyrrolidine-2,5-dione. J Med Chem. 1986 Apr;29(4):520-3.