Details of the Drug

General Information of Drug (ID: DMB3JO2)

Drug Name
1-Methyl-5-phenyl-piperidin-2-one
Synonyms 1-Methyl-5-phenyl-piperidin-2-one; CHEMBL55261; SCHEMBL16591470; 1-Methyl-5-phenylpiperidine-2-one; BDBM50091702
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) 189.25
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H15NO
IUPAC Name
1-methyl-5-phenylpiperidin-2-one
Canonical SMILES
CN1CC(CCC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c1-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
ASTTXNJRFSDNDJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12012176
ChEBI ID
CHEMBL55261
TTD ID
D02ZRX
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
Steroid 5-alpha-reductase 1 (SRD5A1) TTTU72V S5A1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Simple bi- and tricyclic inhibitors of human steroid 5alpha-reductase. Bioorg Med Chem Lett. 2000 Sep 4;10(17):1909-11.