SALICYLIC ACID

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC D01AE12 S01BC08
UNII O414PZ4LPZ
EPA CompTox DTXSID7026368

Structure

InChI Key YGSDEFSMJLZEOE-UHFFFAOYSA-N
Smiles O=C(O)c1ccccc1O
InChI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6O3
Molecular Weight 138.12
AlogP 1.09
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 57.53
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 6-92.9
Enzyme Oxidoreductase
- - - - 0-97
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M34 family
- - - - 6
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- - - - -2-14
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - - 84.99-86.64
Enzyme
- - - - 0-97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 23-97
Bacillus anthracis
- - - - 6
Bos taurus
- - - - 6
Diplodia seriata
- - - - 58
Glycine max
- - - - 48.4
Homo sapiens
- - - - -2-92.9
Lasiodiplodia theobromae
- - - - 57-58
Mus musculus
- 200 - - 13-18.5
Neofusicoccum ribis
- - - - 50
Oryctolagus cuniculus
- - - - 0-0
Pseudomonas aeruginosa
- - - - 35-60
Rattus norvegicus
- - - - 36.8
Staphylococcus aureus
- - - - 26.3

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Hungary
Romania
Slovakia
Sweden

Cross References

Resources Reference
ChEBI 16914
ChEMBL CHEMBL424
DrugBank DB00936
DrugCentral 2416
FDA SRS O414PZ4LPZ
Human Metabolome Database HMDB0001895
Guide to Pharmacology 4306
KEGG C00805
PDB SAL
PharmGKB PA451299
PubChem 338
SureChEMBL SCHEMBL16880297
ZINC ZINC000000001554
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