Molecule

Sulfanilic acid

AlkaPlorer ID: AK018273

Synonym: None

IUPAC Name: 4-aminobenzenesulfonate

SMILES: NC1=CC=C(S(=O)(=O)[O-])C=C1

InChI: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/p-1

InChIKey: HVBSAKJJOYLTQU-UHFFFAOYSA-M

PubChem CID: 3335443

CAS: 121-57-3

LOTUS: LTS0267393

SuperNatural Ⅲ: SN0136303

NPASS: NPC316431

COCONUT: CNP0300837

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Swertia chinensis	Swertia	Gentianaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alnus alnobetula	Alnus	Betulaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dickeya chrysanthemi	Dickeya	Pectobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Salvia trijuga	Salvia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artocarpus styracifolius	Artocarpus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phyllidiella pustulosa	Phyllidiella	Phyllidiidae	Nudibranchia	Gastropoda	Mollusca	Metazoa	Eukaryota
Forsythia giraldiana	Forsythia	Oleaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Laurencia nidifica	Laurencia	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota
Dorstenia mannii	Dorstenia	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces griseolus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Capsella bursa-pastoris	Capsella	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Juniperus rigida	Juniperus	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Aesculus turbinata	Aesculus	Sapindaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vernonia profuga	Vernonia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 172.185

TPSA？: 83.22

MolLogP？: 0.1729000000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	5'-nucleotidase	IC50	8200.0	nM	10.1016/j.ejmech.2013.10.053
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	31622.8	nM	None
Homo sapiens	Glucocorticoid receptor	Potency	22387.2	nM	None
Homo sapiens	HCEC	Activity	nan	None	10.1016/j.ejmech.2013.10.053
Homo sapiens	Histone deacetylase 6	Inhibition	-1.38	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	9.02	%	10.6019/CHEMBL4808148
Homo sapiens	NCI-H157	Activity	40.0	%	10.1016/j.ejmech.2013.10.053
Homo sapiens	Thyroid stimulating hormone receptor	Potency	15848.9	nM	None
Rattus norvegicus	5'-nucleotidase	IC50	70100.0	nM	10.1016/j.ejmech.2013.10.053
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402
None	Molecular identity unknown	Potency	70794.6	nM	None

AKRT ID	Reaction	Reaction Link ID
AKRT020659	Nc1ccc(S(=O)(=O)O)cc1>>O=S(=O)(O)c1ccc(O)c(O)c1	R05279
AKRT020662	Nc1ccc(S(N)(=O)=O)cc1>>Nc1ccc(S(=O)(=O)O)cc1	enzymemap_77432
AKRT023310	O=C(O)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1>>Nc1ccc(S(=O)(=O)O)cc1	R05277
AKRT023328	O=C(O)c1ccc2c(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)ccc2c1>>Nc1ccc(S(=O)(=O)O)cc1	enzymemap_24404
AKRT023914	O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1>>Nc1ccc(S(=O)(=O)O)cc1	enzymemap_24406
AKRT023915	O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)cc1>>Nc1ccc(S(=O)(=O)O)cc1	enzymemap_24419
AKRT023916	O=S(=O)(O)c1ccc(N=Nc2ccc(O)c3ccccc23)cc1>>Nc1ccc(S(=O)(=O)O)cc1	enzymemap_24408