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2-Quinolone

AlkaPlorer ID: AK024148

Synonym: ''

IUPAC Name: 1H-quinolin-2-one

Structure

SMILES: OC1=CC=C2C=CC=CC2=N1

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InChI: InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)

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InChIKey: LISFMEBWQUVKPJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Houttuynia cordata Houttuynia Saururaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 145.16099999999997

TPSA？: 33.120000000000005

MolLogP？: 1.9404

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Agaricus bisporus Tyrosinase Inhibition 5.0 % 10.1021/jm101266s
Bacillus anthracis Anthrax lethal factor Inhibition 36.0 % 10.1021/jm101266s
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 15811.4 nM None
Homo sapiens Arachidonate 5-lipoxygenase Inhibition 22.0 % 10.1021/jm101266s
Homo sapiens Carbonic anhydrase I Ki 6230.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase I Ki 10000.0 nM 10.1021/acsmedchemlett.8b00362
Homo sapiens Carbonic anhydrase II Ki 10000.0 nM 10.1021/acsmedchemlett.8b00362
Homo sapiens Carbonic anhydrase II Ki 200000.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase III Ki 570.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase IV Ki 360.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase IX Ki 82.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase IX Ki 82.0 nM 10.1021/acsmedchemlett.8b00362
Homo sapiens Carbonic anhydrase VA Ki 410.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase VB Ki 750.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase VI Ki 33.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase VII Ki 420.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase XII Ki 93.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase XII Ki 93.0 nM 10.1021/acsmedchemlett.8b00362
Homo sapiens Carbonic anhydrase XIII Ki 65.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens Carbonic anhydrase XIV Ki 36.0 nM 10.1016/j.bmcl.2012.01.129
Homo sapiens DNA polymerase kappa Potency 8436.8 nM None
Homo sapiens HepG2 CC50 100000.0 nM 10.1016/j.ejmech.2012.04.029
Homo sapiens HepG2 CC50 100000.0 nM 10.1016/j.ejmech.2018.06.001
Homo sapiens Matrix metalloproteinase-1 Inhibition 20.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase-2 Inhibition 5.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 3 Inhibition 3.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 8 Inhibition 33.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 9 Inhibition 5.0 % 10.1021/jm101266s
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 Tankyrase-2 IC50 20000.0 nM 10.1021/jm400211f
Leishmania donovani Leishmania donovani IC50 50000.0 nM 10.1016/j.ejmech.2012.04.029
Leishmania infantum Leishmania infantum IC50 100000.0 nM 10.1016/j.ejmech.2018.06.001
Mus musculus J774.A1 CC50 100000.0 nM 10.1016/j.ejmech.2012.04.029
Mus musculus Nitric oxide synthase, inducible Inhibition 54.0 % 10.1021/jm101266s
Mus musculus Nuclear receptor ROR-gamma Potency 6309.6 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 12589.3 nM None
Mus musculus RAW264.7 IC50 10000.0 nM 10.1016/j.bmcl.2017.04.072
Mus musculus Tyrosine-protein kinase TEC Kd nan nM 10.1021/jm049533z
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 2.62 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.07 % 10.6019/CHEMBL4495565
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 50000.0 nM 10.1016/j.ejmech.2018.06.001
None No relevant target Activity -1.86 V 10.1016/j.ejmech.2018.06.001
None No relevant target LogD7.4 1.32 None 10.6019/CHEMBL3301361
None Unchecked Activity 95.0 % None
None Unchecked IC20 1.7 10'-4M None
None Unchecked IC50 364000.0 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT024382 O=c1ccc2ccccc2[nH]1>>O=c1ccc2cccc(O)c2[nH]1 enzymemap_12441
AKRT024884 Oc1ccc2ccccc2n1>>O=c1ccc2ccccc2[nH]1 RXN-12948
AKRT024885 Oc1ccc2ccccc2n1>>Oc1ccc2c(n1)C=CC(O)C2O 1.14.12.16-RXN
AKRT024886 Oc1ccc2ccccc2n1>>Oc1ccc2cccc(O)c2n1 1.14.13.61-RXN
AKRT024887 Oc1ccc2ccccc2n1>>c1ccc2ncccc2c1 MNXR189413
AKRT024985 c1ccc2ncccc2c1>>O=c1ccc2ccccc2[nH]1 1.3.99.17-RXN