Molecule Details
| InChIKey | YGSDEFSMJLZEOE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Salicylic Acid |
| Canonical SMILES | O=C(O)c1ccccc1O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.9 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00936 |
|---|---|
| Drug Name | Salicylic acid |
| CAS Number | 69-72-7 |
| Groups | approved investigational vet_approved |
| ATC Codes | D01AE12 G04BX17 N02BA04 N02BA12 S01BC08 |
| Description | A compound obtained from the bark of the white willow and wintergreen leaves, and also prepared synthetically. It has bacteriostatic, fungicidal, and keratolytic actions. Its salts, the salicylates, are used as analgesics. |
Categories: Acids, Carbocyclic Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Infective Agents Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antifungal Agents Antifungals for Dermatological Use Antifungals for Topical Use Benzene Derivatives Benzoates Cyclooxygenase Inhibitors Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Substrates Dermatologicals Enzyme Inhibitors Genito Urinary System and Sex Hormones Hydroxy Acids Hydroxybenzoates Keratolytic Agents Nephrotoxic agents Nervous System Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OATP2B1/SLCO2B1 substrates Ophthalmologicals Peripheral Nervous System Agents Phenols Salicylates Salicylic Acid and Derivatives Sclerosing Solutions Sensory Organs Sensory System Agents Urologicals
Cross-references: BindingDB: 26193 ChEBI: 16914 CHEMBL424 ChemSpider: 331 Drugs Product Database (DPD): 9766 Guide to Pharmacology: 4306 IUPHAR: 4306 C00805 D00097 PDB: SAL PharmGKB: PA451299 PubChem:338 PubChem:46504942 RxCUI: 9525 Therapeutic Targets Database: DAP000731 Wikipedia: Salicylic_acid ZINC: ZINC000000001554
Target Activities (3)
DrugBank Target Actions (17)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | other/unknown | carriers |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| O43570 | CA12 | Carbonic anhydrase 12 | inhibitor | targets |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| P22748 | CA4 | Carbonic anhydrase 4 | inhibitor | targets |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P23280 | CA6 | Carbonic anhydrase 6 | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| Q04828 | AKR1C1 | Aldo-keto reductase family 1 member C1 | inhibitor | targets |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q63ZE4 | Q63ZE4 | Solute carrier family 22 member 10 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |
| P53985 | SLC16A1 | Monocarboxylate transporter 1 | substrate | transporters |
| Q9Y694 | Q9Y694 | Solute carrier family 22 member 7 | substrate | transporters |