Molecule Details
| InChIKey | UAWXGRJVZSAUSZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Licofelone |
| Canonical SMILES | CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.64 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04725 |
|---|---|
| Drug Name | Licofelone |
| CAS Number | 156897-06-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Developed by the German pharmaceutical company, Merckle GmbH, together with EuroAlliance partners Alfa Wassermann and Lacer, licofelone (ML3000) is a dual COX/LOX inhibitor and the first member of this new class of analgesic and anti-inflammatory drugs. It is currently under evaluation as a treatmen... |
Categories: Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antirheumatic Agents Central Nervous System Agents Cyclooxygenase Inhibitors Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Lipoxygenase Inhibitors Peripheral Nervous System Agents Sensory System Agents UGT1A3 substrates
Cross-references: BindingDB: 50038649 CHEMBL300982 ChemSpider: 117391 PDB: LCF PubChem:133021 PubChem:175426859 Wikipedia: Licofelone ZINC: ZINC000003805769
Target Activities (3)
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P51589 | CYP2J2 | Cytochrome P450 2J2 | substrate | enzymes |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | binder | targets |
| Q9NZK7 | PLA2G2E | Group IIE secretory phospholipase A2 | binder | targets |
| P09917 | ALOX5 | Polyunsaturated fatty acid 5-lipoxygenase | inhibitor | targets |