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4-Quinolone-3-carboxylic acid

AlkaPlorer ID: AK002033

Synonym: None

IUPAC Name: 4-oxo-1H-quinoline-3-carboxylic acid

Structure

SMILES: C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O

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InChI: InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)

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InChIKey: ILNJBIQQAIIMEY-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Isatis tinctoria Isatis Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 189.17

TPSA？: 70.16

MolLogP？: 1.2263

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Casein kinase II Activity 103.0 % 10.1021/jm050048t
Homo sapiens C-type lectin domain family 4 member M Kd 2200000.0 nM 10.1021/acsmedchemlett.2c00067
Mus musculus Ehrlich IC50 1047128.55 nM 10.1021/jm00218a003
Mus musculus Ehrlich IC50 1047128.55 nM 10.1021/jm00343a011
Mus musculus Ehrlich IC50 1060000.0 nM 10.1021/jm00218a003
Sus scrofa Malate dehydrogenase cytoplasmic pI50 nan None 10.1021/jm00343a011
Sus scrofa Malate dehydrogenase mitochondrial pI50 nan None 10.1021/jm00343a011
None NON-PROTEIN TARGET Activity 77.3 % 10.1016/j.ejmech.2010.01.018
None NON-PROTEIN TARGET Activity 90.4 % 10.1016/j.ejmech.2010.01.018
None NON-PROTEIN TARGET Activity 96.6 % 10.1016/j.ejmech.2010.01.018
None NON-PROTEIN TARGET Activity 100.6 % 10.1016/j.ejmech.2010.01.018
None NON-PROTEIN TARGET Activity 102.0 % 10.1016/j.ejmech.2010.01.018
None NON-PROTEIN TARGET Activity 103.0 % 10.1016/j.ejmech.2010.01.018
None NON-PROTEIN TARGET pI50 nan None 10.1021/jm00343a011
None No relevant target Activity 113.3 % 10.1016/j.ejmech.2010.01.018
None No relevant target LogP 0.23 None 10.1021/jm00218a003
None Radical scavenging activity Activity 94.6 % 10.1016/j.ejmech.2010.01.018
None Unchecked EC50 nan None 10.1016/j.ejmech.2019.06.076
None Unchecked Inhibition 13.0 % 10.1016/j.bmcl.2018.03.002
None Unchecked Inhibition nan % 10.1016/j.ejmech.2019.06.076

Metabolism Information