Molecule Details
| InChIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
|---|---|
| Compound Name | (+)-Ursolic Acid |
| Canonical SMILES | C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.19 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15588 |
|---|---|
| Drug Name | Ursolic acid |
| CAS Number | 77-52-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Analgesics Analgesics, Non-Narcotic Anti-Infective Agents Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antineoplastic Agents Antineoplastic Agents, Phytogenic Antirheumatic Agents Cyclooxygenase Inhibitors Enzyme Inhibitors Pentacyclic Triterpenes Peripheral Nervous System Agents Sapogenins Sensory System Agents Terpenes Triterpenes
Cross-references: BindingDB: 50148911 ChEBI: 9908 CHEMBL169 ChemSpider: 58472 C08988 PDB: 6Q5 RxCUI: 1426931 Wikipedia: Ursolic_acid ZINC: ZINC000003978827
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9P0U3 | SENP1 | Homo sapiens | Human | PF02902 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q04206 | RELA | Homo sapiens | Human | PF16179 PF00554 | 7.5 | IC50 | ChEMBL;BindingDB |
| P23141 | CES1 | Homo sapiens | Human | PF00135 | 7.0 | IC50 | ChEMBL;BindingDB |
| P51449 | RORC | Homo sapiens | Human | PF00104 PF00105 | 6.9 | IC50 | ChEMBL;BindingDB |
| P08246 | ELANE | Homo sapiens | Human | PF00089 | 6.4 | IC50 | BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04054 | PLA2G1B | Phospholipase A2 | inhibitor | targets |
| P04293 | DNA polymerase catalytic subunit | inhibitor | targets | |
| P08246 | ELANE | Neutrophil elastase | inhibitor | targets |
| P11217 | PYGM | Glycogen phosphorylase, muscle form | inhibitor | targets |
| P18031 | PTPN1 | Tyrosine-protein phosphatase non-receptor type 1 | inhibitor | targets |
| P28845 | HSD11B1 | 11-beta-hydroxysteroid dehydrogenase 1 | inhibitor | targets |
| P01112 | HRAS | GTPase HRas | regulator | targets |