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Quinaldic Acid

AlkaPlorer ID: AK019918

Synonym: None

IUPAC Name: quinoline-2-carboxylic acid

Structure

SMILES: O=C(O)C1=CC=C2C=CC=CC2=N1

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InChI: InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)

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InChIKey: LOAUVZALPPNFOQ-UHFFFAOYSA-N

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Reference

PubChem CID: 7124

CAS: 10357-00-3

SuperNatural Ⅲ: SN0210797

NPASS: NPC322645

COCONUT: CNP0097420

Properties Information

Molecule Weight: 173.171

TPSA？: 50.19

MolLogP？: 1.933

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 58.0 % 10.1021/jm101266s
Bacillus anthracis Anthrax lethal factor Inhibition 45.0 % 10.1021/jm101266s
Homo sapiens Arachidonate 5-lipoxygenase Inhibition -47.0 % 10.1021/jm101266s
Homo sapiens Casein kinase II alpha deltaTm nan None 10.1016/j.bmc.2017.04.037
Homo sapiens Matrix metalloproteinase-1 Inhibition 52.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase-2 Inhibition 37.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 3 Inhibition 73.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 8 Inhibition 29.0 % 10.1021/jm101266s
Homo sapiens Matrix metalloproteinase 9 Inhibition 37.0 % 10.1021/jm101266s
Homo sapiens Protein-tyrosine phosphatase 1B Kd 1000000.0 nM 10.1021/acs.jmedchem.0c00242
Mus musculus Nitric oxide synthase, inducible Inhibition 11.0 % 10.1021/jm101266s
Rattus norvegicus Rattus norvegicus ID50 50.0 mg.kg-1 10.1021/jm00220a022
Rattus norvegicus Renal sodium-dependent phosphate transport protein 1 Activity 34.0 % 10.1016/s0960-894x(99)00444-8
Staphylococcus aureus (strain NCTC 8325) ATP-dependent Clp protease proteolytic subunit Inhibition nan % 10.1021/acs.jmedchem.9b01746
None Unchecked IC50 nan None 10.1016/j.bmcl.2017.08.070
None Unchecked Inhibition 23.11 % 10.1016/j.ejmech.2018.10.027

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023302 O=C(O)c1cc(O)c2ccccc2n1>>O=C(O)c1ccc2ccccc2n1 MNXR189405
AKRT023329 O=C(O)c1ccc2ccccc2n1>>O=C(O)c1cc(O)c2ccccc2n1 1.3.99.18-RXN
AKRT023763 O=Cc1ccc2ccccc2n1>>O=C(O)c1ccc2ccccc2n1 retrobiocat_983