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2-Benzamidobenzoic acid

AlkaPlorer ID: AK050889

Synonym: 2-(Benzoylamino)benzoic acid, N-Benzoylanthranilic acid, Dianthramide B, FEMA 4078 

IUPAC Name: 2-benzamidobenzoic acid

Structure

SMILES: O=C(O)C1=CC=CC=C1N=C(O)C1=CC=CC=C1

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InChI: InChI=1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)

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InChIKey: WXVLIIDDWFGYCV-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Dianthus caryophyllus Dianthus Caryophyllaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 241.246

TPSA？: 69.89

MolLogP？: 3.021100000000001

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli MIC 100.0 ug.mL-1 10.1021/jm400485e
Homo sapiens Aldo-keto-reductase family 1 member C3 Inhibition 10.0 % 10.1016/j.bmcl.2005.08.063
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 29092.9 nM None
Homo sapiens Breast cancer type 1 susceptibility protein Potency 35481.3 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 89125.1 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 35481.3 nM None
Homo sapiens DNA polymerase beta Potency 31622.8 nM None
Homo sapiens DNA polymerase iota Potency 15848.9 nM None
Homo sapiens Estrogen receptor beta IC50 50000.0 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 50118.7 nM None
Homo sapiens Nuclear receptor subfamily 4 group A member 1 IC50 100000.0 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 95283.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 44668.4 nM None
Human adenovirus 5 Human adenovirus 5 Inhibition nan % 10.1128/aac.00203-10
Photinus pyralis Luciferin 4-monooxygenase Potency 23085.6 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 23934.1 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 25236.6 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 32609.2 nM None
Photinus pyralis Luciferin 4-monooxygenase Potency 36588.1 nM None
Rattus norvegicus Inositol monophosphatase 1 Potency 1258.9 nM None
None Unchecked IC50 nan None 10.1016/j.ejmech.2014.02.014
None Unchecked IC50 nan None 10.1021/jm400485e
None Unchecked Potency 2310.9 nM None
None Unchecked Potency 3662.6 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT020753 Nc1ccccc1C(=O)O.O=C([32S])c1ccccc1>>O=C(Nc1ccccc1C(=O)O)c1ccccc1 None
AKRT020754 Nc1ccccc1C(=O)O.O=C([CoA])c1ccccc1>>O=C(Nc1ccccc1C(=O)O)c1ccccc1 ANTHRANILATE-N-BENZOYLTRANSFERASE-RXN
AKRT023472 O=C([CoA])c1ccccc1.Nc1ccccc1C(=O)O>>O=C(Nc1ccccc1C(=O)O)c1ccccc1 enzymemap_28846