Details of the Drug

General Information of Drug (ID: DMS1LDH)

Drug Name

3-(4-Amino-phenyl)-1-methyl-pyrrolidine-2,5-dione

Synonyms

CHEMBL357775; 2,5-Pyrrolidinedione, 3-(4-aminophenyl)-1-methyl-; 59512-13-9; 3-(4-Amino-phenyl)-1-methyl-pyrrolidine-2,5-dione; CTK1E7233; DTXSID50490593; BDBM50025151; AKOS022647888

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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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)

0.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H12N2O2
IUPAC Name: 3-(4-aminophenyl)-1-methylpyrrolidine-2,5-dione
Canonical SMILES: CN1C(=O)CC(C1=O)C2=CC=C(C=C2)N
InChI: InChI=1S/C11H12N2O2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6,12H2,1H3
InChIKey: QMQMEAAIWVAXHW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 12331302
CAS Number: 59512-13-9
TTD ID: D01MPK

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.