Details of the Drug

General Information of Drug (ID: DM39XMT)

Drug Name
3-(4-Amino-phenyl)-3-propyl-piperidine-2,6-dione
Synonyms CHEMBL29864; 3-(4-Amino-phenyl)-3-propyl-piperidine-2,6-dione; BDBM50025059
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) 246.3
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H18N2O2
IUPAC Name
3-(4-aminophenyl)-3-propylpiperidine-2,6-dione
Canonical SMILES
CCCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H18N2O2/c1-2-8-14(9-7-12(17)16-13(14)18)10-3-5-11(15)6-4-10/h3-6H,2,7-9,15H2,1H3,(H,16,17,18)
InChIKey
CKRTXCPPNWSZFC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13660216
ChEBI ID
CHEMBL29864
TTD ID
D0AM2Z
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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 Aromatase inhibitors. Synthesis and evaluation of mammary tumor inhibiting activity of 3-alkylated 3-(4-aminophenyl)piperidine-2,6-diones. J Med Chem. 1986 Aug;29(8):1362-9.