Navigation

name Structure Reference Source Properties Activities Metabolism

quinaldine

AlkaPlorer ID: AK076473

Synonym: None

IUPAC Name: 2-methylquinoline

Structure

SMILES: CC1=CC=C2C=CC=CC2=N1

copy

InChI: InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3

copy

InChIKey: SMUQFGGVLNAIOZ-UHFFFAOYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Peganum harmala Peganum Nitrariaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 143.189

TPSA？: 12.89

MolLogP？: 2.5432200000000007

Number of H-Donors: 0

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cytochrome P450 1A2 IC50 40000.0 nM 10.1021/jm0489713
Homo sapiens Cytochrome P450 2A6 IC50 190000.0 nM 10.1021/jm049536b
Homo sapiens Cytochrome P450 2A6 IC50 190107.83 nM 10.1016/j.ejmech.2008.11.010
Homo sapiens HepG2 CC50 100000.0 nM 10.1016/j.ejmech.2012.04.029
Homo sapiens HepG2 CC50 500000.0 nM 10.1016/j.ejmech.2014.06.014
Homo sapiens HepG2 Potency 5623.4 nM None
Homo sapiens Neutrophil cytosol factor 1 Ki 2000000.0 nM 10.1021/acs.jmedchem.9b01492
Homo sapiens Neutrophil cytosol factor 1 Rmax 20.0 % 10.1021/acs.jmedchem.9b01492
Homo sapiens Proteasome Macropain subunit MB1 IC50 25000.0 nM 10.1016/j.bmc.2016.04.005
Leishmania donovani Leishmania donovani IC50 50000.0 nM 10.1016/j.ejmech.2012.04.029
Mus musculus Cytochrome P450 2A5 IC50 79983.43 nM 10.1016/j.ejmech.2008.11.010
Mus musculus Cytochrome P450 2A5 IC50 80000.0 nM 10.1021/jm049536b
Mus musculus J774.A1 CC50 100000.0 nM 10.1016/j.ejmech.2012.04.029
Plasmodium falciparum Plasmodium falciparum IC50 50000.0 nM 10.1016/j.ejmech.2014.06.014
Saccharomyces cerevisiae S288c Histone acetyltransferase GCN5 Activity nan None 10.1021/jm060601m
None ADMET Ratio 2.4 None 10.1021/jm049536b

Metabolism Information