Molecule Details
| InChIKey | KBOPZPXVLCULAV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-Aminosalicylic Acid |
| Canonical SMILES | Nc1ccc(O)c(C(=O)O)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.39 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00244 |
|---|---|
| Drug Name | Mesalazine |
| CAS Number | 89-57-6 |
| Groups | approved investigational |
| ATC Codes | A07EC02 |
| Description | An anti-inflammatory agent, structurally related to the salicylates and non-steroidal anti-inflammatory drugs like acetylsalicylic acid, which is active in inflammatory bowel disease [A174022]. Although demonstrably effective in treating and maintaining remission for ulcerative colitis, mesalazine h... |
Categories: Agents causing hyperkalemia Agents that produce hypertension Aminosalicylate Aminosalicylic Acids Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Benzene Derivatives Hydroxybenzoates Intestinal Antiinflammatory Agents Nephrotoxic agents OATP1B1/SLCO1B1 Substrates OATP1B3 substrates OATP2B1/SLCO2B1 substrates Phenols Salicylates
Cross-references: BindingDB: 60918 ChEBI: 6775 CHEMBL704 ChemSpider: 3933 Drugs Product Database (DPD): 14088 Guide to Pharmacology: 2700 IUPHAR: 2700 D00377 PharmGKB: PA450384 PubChem:4075 PubChem:46509142 RxCUI: 52582 Therapeutic Targets Database: DAP000729 Wikipedia: Mesalazine ZINC: ZINC000000001688
Target Activities (3)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P18440 | P18440 | Arylamine N-acetyltransferase 1 | substrate | enzymes |
| P37231 | PPARG | Peroxisome proliferator-activated receptor gamma | agonist | targets |
| O14920 | IKBKB | Inhibitor of nuclear factor kappa-B kinase subunit beta | inhibitor | targets |
| O15111 | CHUK | Inhibitor of nuclear factor kappa-B kinase subunit alpha | inhibitor | targets |
| P09917 | ALOX5 | Polyunsaturated fatty acid 5-lipoxygenase | inhibitor | targets |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P35228 | NOS2 | Nitric oxide synthase, inducible | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |