Details of the Drug

General Information of Drug (ID: DMW62U8)

Drug Name
3-(4-Amino-phenyl)-3-hexyl-piperidine-2,6-dione
Synonyms CHEMBL29339; 3-(4-Amino-phenyl)-3-hexyl-piperidine-2,6-dione
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) 288.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H24N2O2
IUPAC Name
3-(4-aminophenyl)-3-hexylpiperidine-2,6-dione
Canonical SMILES
CCCCCCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H24N2O2/c1-2-3-4-5-11-17(12-10-15(20)19-16(17)21)13-6-8-14(18)9-7-13/h6-9H,2-5,10-12,18H2,1H3,(H,19,20,21)
InChIKey
VWJXCBZWAWHJLE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13660225
TTD ID
D0O1ZM

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.