Molecule Details
| InChIKey | OZWKMVRBQXNZKK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ketorolac |
| Canonical SMILES | O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.58 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00465 |
|---|---|
| Drug Name | Ketorolac |
| CAS Number | 74103-06-3 |
| Groups | approved investigational |
| ATC Codes | M01AB15 S01FB51 S01BC05 |
| Description | Ketorolac is a Non-steroidal anti-inflammatory drug (NSAID) and is commercially available as an oral tablet, injectable, nasal spray and as an ophthalmic solution.[L6358][L6508][L11055][L3674][L11070] It's analgesic properties make it a useful pain management tool across many settings including post... |
Categories: Acetic Acid Derivatives and Related Substances Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents Cyclooxygenase Inhibitors Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Musculo-Skeletal System Mydriatics Mydriatics and Cycloplegics Nephrotoxic agents Non COX-2 selective NSAIDS Ophthalmologicals Other Nonsteroidal Anti-inflammatory Agents Photosensitizing Agents Sensory Organs Sympathomimetics Excl. Antiglaucoma Preparations UGT2B7 substrates
Cross-references: BindingDB: 85511 ChEBI: 76223 CHEMBL469 ChemSpider: 3694 Drugs Product Database (DPD): 1241 C07062 PharmGKB: PA450150 PubChem:3826 PubChem:46507019 RxCUI: 35827 Therapeutic Targets Database: DAP000618 Wikipedia: Ketorolac
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23219 | PTGS1 | Homo sapiens | Human | PF03098 | 7.9 | Ki | ChEMBL;BindingDB |
| P35354 | PTGS2 | Homo sapiens | Human | PF03098 | 6.9 | IC50 | ChEMBL;BindingDB |
| P49662 | CASP4 | Homo sapiens | Human | PF00619 PF00656 | 6.1 | IC50 | BindingDB |
| P55211 | CASP9 | Homo sapiens | Human | PF00619 PF00656 | 6.1 | IC50 | BindingDB |
| P51878 | CASP5 | Homo sapiens | Human | PF00619 PF00656 | 6.0 | IC50 | BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |