Details of the Drug

General Information of Drug (ID: DM7LPON)

Drug Name
4-Methyl-5,6-dihydro-pyrido[1,2-a]quinolin-3-one
Synonyms CHEMBL124849; 4-Methyl-5,6-dihydro-pyrido[1,2-a]quinolin-3-one; SCHEMBL6942608; ZINC27211803
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) 211.26
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H13NO
IUPAC Name
4-methyl-5,6-dihydrobenzo[f]quinolizin-3-one
Canonical SMILES
CC1=C2CCC3=CC=CC=C3N2C=CC1=O
InChI
InChI=1S/C14H13NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5,8-9H,6-7H2,1H3
InChIKey
POEIHRYHSHOMRL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12969973
ChEBI ID
CHEMBL124849
TTD ID
D07KDB
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 Benzo[c]quinolizin-3-ones: a novel class of potent and selective nonsteroidal inhibitors of human steroid 5alpha-reductase 1. J Med Chem. 2000 Oct 5;43(20):3718-35.