N-acetyl-5-aminosalicylic acid

AlkaPlorer ID: AK042127

Synonym: None

IUPAC Name: 5-acetamido-2-hydroxybenzoic acid

Structure

SMILES: CC(=O)NC1=CC(C(=O)O)=C(O)C=C1

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InChI: InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-8(12)7(4-6)9(13)14/h2-4,12H,1H3,(H,10,11)(H,13,14)

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InChIKey: GEFDRROBUCULOD-UHFFFAOYSA-N

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Reference

PubChem CID: 65512

CAS: 51-59-2

NPASS: NPC323798

COCONUT: CNP0139597

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: 86.63000000000001

MolLogP: 1.0487999999999995

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Krueppel-like factor 10 Inhibition nan % 10.1021/jm5018187
Homo sapiens Lysine-specific demethylase 4C Inhibition nan % 10.1021/acs.jmedchem.5b01527
Rattus norvegicus Rattus norvegicus FC 2.1 None 10.1016/j.bmcl.2015.04.023
Rattus norvegicus Rattus norvegicus Inhibition 0.0 % 10.1016/j.bmcl.2015.04.023
Rattus norvegicus Rattus norvegicus Inhibition 1.3 % 10.1016/j.bmcl.2015.04.023
Rattus norvegicus Rattus norvegicus Inhibition 7.9 % 10.1016/j.bmcl.2015.04.023
Rattus norvegicus Rattus norvegicus Inhibition 43.3 % 10.1016/j.bmcl.2015.04.023

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004347 CC(=O)Oc1ccc([N+](=O)[O-])cc1.Nc1ccc(O)c(C(=O)O)c1>>CC(=O)Nc1ccc(O)c(C(=O)O)c1 enzymemap_31158
AKRT004445 CC(=O)[32S].Nc1ccc(O)c(C(=O)O)c1>>CC(=O)Nc1ccc(O)c(C(=O)O)c1 None
AKRT004738 CC(=O)[CoA].Nc1ccc(O)c(C(=O)O)c1>>CC(=O)Nc1ccc(O)c(C(=O)O)c1 RXN-19524