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]
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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

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]

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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.