General Information of the Compound
Compound ID
CP0497227
Compound Name
4-Methyl-5,6-dihydro-pyrido[1,2-a]quinolin-3-one
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Synonyms
4-Methyl-5,6-dihydro-pyrido[1,2-a]quinolin-3-one
CHEMBL124849
SCHEMBL6942608
ZINC27211803
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Structure
Formula
C14H13NO
Molecular Weight
211.264
Canonical SMILES
Cc1c2CCc3ccccc3-n2ccc1=O
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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
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InChIKey
POEIHRYHSHOMRL-UHFFFAOYSA-N
Physicochemical Property
logP
2.24452
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 12969973
ChEMBL ID
CHEMBL124849
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01430, 3-oxo-5-alpha-steroid 4-dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Methyl-5,6-dihydro-pyrido[1,2-a]quinolin-3-one )
Drug Name 4-Methyl-5,6-dihydro-pyrido[1,2-a]quinolin-3-one
Target(s)
Steroid 5-alpha-reductase 1 (SRD5A1)
Inhibitor