Trade Names: | |
Synonyms: | |
Status: | Approved (1950) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 5B2658E0N2 |
InChI Key | WUBBRNOQWQTFEX-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C7H7NO3 |
Molecular Weight | 153.14 |
AlogP | 0.67 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 1.0 |
Polar Surface Area | 83.55 |
Molecular species | ACID |
Aromatic Rings | 1.0 |
Heavy Atoms | 11.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Oxidoreductase
|
- | - | - | - | 15 | |
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M34 family
|
- | - | - | - | 30 | |
Enzyme
Protease
Metallo protease
Metallo protease MAM clan
Metallo protease M10A subfamily
|
- | - | - | - | ||
Enzyme
|
- | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Colitis, Ulcerative | 2 | D003093 | ClinicalTrials |
Crohn Disease | 2 | D003424 | ClinicalTrials |
Osteomyelitis | 0 | D010019 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 65-49-6 |
ChEBI | 27565 |
ChEMBL | CHEMBL1169 |
DrugBank | DB00233 |
DrugCentral | 2050 |
EPA CompTox | DTXSID2022591 |
FDA SRS | 5B2658E0N2 |
Human Metabolome Database | HMDB0014378 |
KEGG | C02518 |
PDB | BHA |
PharmGKB | PA448382 |
PubChem | 4649 |
SureChEMBL | SCHEMBL2262 |
ZINC | ZINC000000000922 |