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
ChEBI ID
CHEMBL29339
TTD ID
D0O1ZM
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 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.