Details of the Drug

General Information of Drug (ID: DMITHX5)

Drug Name
3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione
Synonyms CHEMBL149238; 3-(4-Amino-phenyl)-3-methyl-pyrrolidine-2,5-dione; 2,5-Pyrrolidinedione, 3-(4-aminophenyl)-3-methyl-; SCHEMBL19074638; BDBM50025155
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) 204.22
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H12N2O2
IUPAC Name
3-(4-aminophenyl)-3-methylpyrrolidine-2,5-dione
Canonical SMILES
CC1(CC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N2O2/c1-11(6-9(14)13-10(11)15)7-2-4-8(12)5-3-7/h2-5H,6,12H2,1H3,(H,13,14,15)
InChIKey
MAUIJSRGENXQBY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13596072
TTD ID
D05HRP

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.