Molecule

3-Amino-2-hydroxybenzoic acid

AlkaPlorer ID: AK008862

Synonym: 3-Aminosalicylic acid

IUPAC Name: 3-amino-2-hydroxybenzoic acid

SMILES: NC1=CC=CC(C(=O)O)=C1O

InChI: InChI=1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)

InChIKey: IQGMRVWUTCYCST-UHFFFAOYSA-N

PubChem CID: 68443

CAS: 28088-64-4

NPASS: NPC181526

COCONUT: CNP0299279

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

Molecule Weight: 153.137

TPSA？: 83.55000000000001

MolLogP？: 0.6726000000000001

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agaricus bisporus	Tyrosinase	Inhibition	-32.0	%	10.1021/jm101266s
Bacillus anthracis	Anthrax lethal factor	Inhibition	90.0	%	10.1021/jm101266s
Homo sapiens	Arachidonate 5-lipoxygenase	Inhibition	72.0	%	10.1021/jm101266s
Homo sapiens	Arginase-1	Inhibition	11.0	%	10.1021/acs.jmedchem.8b01363
Homo sapiens	Matrix metalloproteinase-1	Inhibition	69.0	%	10.1021/jm101266s
Homo sapiens	Matrix metalloproteinase-2	IC50	389000.0	nM	10.1021/jm101266s
Homo sapiens	Matrix metalloproteinase-2	Inhibition	70.0	%	10.1021/jm101266s
Homo sapiens	Matrix metalloproteinase 3	Inhibition	72.0	%	10.1021/jm101266s
Homo sapiens	Matrix metalloproteinase 8	Inhibition	67.0	%	10.1021/jm101266s
Homo sapiens	Matrix metalloproteinase 9	Inhibition	59.0	%	10.1021/jm101266s
Homo sapiens	Methionine aminopeptidase 2	Inhibition	0.0	%	10.1021/acs.jmedchem.8b01363
Mus musculus	Nitric oxide synthase, inducible	Inhibition	18.0	%	10.1021/jm101266s
None	Unchecked	IC50	199526.23	nM	10.1021/acs.jmedchem.8b01363
None	Unchecked	IC50	200000.0	nM	10.1021/acs.jmedchem.8b01363
None	Unchecked	Inhibition	0.0	%	10.1021/acs.jmedchem.8b01363
None	Unchecked	Inhibition	7.0	%	10.1021/acs.jmedchem.8b01363

AKRT ID	Reaction	Reaction Link ID
AKRT020673	Nc1cccc(C(=O)O)c1O>>Nc1cccc(O)c1O	enzymemap_11601
AKRT020674	Nc1cccc(C(=O)O)c1O>>O=C=O	enzymemap_11601