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
ChEBI ID
CHEMBL149238
TTD ID
D05HRP
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
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.