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name Structure Reference Source Properties Activities Metabolism

N-(2-Hydroxybenzoyl)glycine 

AlkaPlorer ID: AK011206

Synonym: o-Hydroxyhippuric acid, Salicyloylaminoacetic acid, Salicyloylglycine, Salicyluric acid, 2-Hydroxybenzamidoacetic acid 

IUPAC Name: 2-[(2-hydroxybenzoyl)amino]acetic acid

Structure

SMILES: O=C(O)CN=C(O)C1=CC=CC=C1O

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InChI: InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)

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InChIKey: ONJSZLXSECQROL-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 195.174

TPSA？: 90.12

MolLogP？: 0.7813999999999999

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Anthrax lethal factor Potency 3981.1 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 3548.1 nM None
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens Cytochrome P450 1A2 AC50 5011.87 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 3162.3 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens HL-60 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens Hypoxia-inducible factor prolyl hydroxylase 1 IC50 1000000.0 nM 10.1016/j.bmcl.2010.08.032
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens Solute carrier family 22 member 6 IC50 27000.0 nM 10.1038/sj.bjp.0704482
Homo sapiens SR GI50 100000.0 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase Inhibition 25.0 % 10.1021/jm960754h
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase Inhibition 28.9 % 10.1021/jm960754h
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 integrase Inhibition 33.3 % 10.1021/jm960754h
Mus musculus Intestine Retention_time 18.6 min 10.1021/acs.jmedchem.5b00536
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Activity 1.1 None 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Km 860000.0 nM 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Ratio 7.1 10'3/M/s 10.1016/j.bmc.2008.10.013
Rattus norvegicus Peptidyl-glycine alpha-amidating monooxygenase Vmax(app) 4.9 /s 10.1016/j.bmc.2008.10.013
Rattus norvegicus Plasma Drug metabolism nan None 10.1021/acs.jmedchem.5b01961
Rattus norvegicus Solute carrier family 22 member 6 Ki 11000.0 nM 10.1016/j.bmc.2011.04.045
Rattus norvegicus Solute carrier family 22 member 6 Ki 11000.0 nM None
None ADMET Log relative k' -0.68 None 10.1021/jm970811m
None ADMET Retention_time 18.6 min 10.1021/acs.jmedchem.5b00536
None NON-PROTEIN TARGET Mean peak APTT 28.0 None 10.1021/jm970811m

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017710 NCC(=O)O.O=C([32S])c1ccccc1O>>O=C(O)CNC(=O)c1ccccc1O None
AKRT023477 O=C([CoA])c1ccccc1O.NCC(=O)O>>O=C(O)CNC(=O)c1ccccc1O enzymemap_28637