Molecule Details
| InChIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
|---|---|
| Compound Name | Oleanolic Acid |
| Canonical SMILES | CC1(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]2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P13726 | F3 | Homo sapiens | Human | PF09294 PF01108 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q8IVP5 | FUNDC1 | Homo sapiens | Human | PF04930 | 7.1 | Ki | ChEMBL |
| O60218 | AKR1B10 | Homo sapiens | Human | PF00248 | 7.0 | Ki | ChEMBL;BindingDB |
| P23141 | CES1 | Homo sapiens | Human | PF00135 | 7.0 | IC50 | ChEMBL;BindingDB |
| P17706 | PTPN2 | Homo sapiens | Human | PF00102 | 6.2 | IC50 | ChEMBL;BindingDB |
| P18031 | PTPN1 | Homo sapiens | Human | PF00102 | 6.2 | IC50 | ChEMBL;BindingDB |
| P30305 | CDC25B | Homo sapiens | Human | PF06617 PF00581 | 6.0 | IC50 | ChEMBL |
| P08575 | PTPRC | Homo sapiens | Human | PF12567 PF00041 PF12453 PF00102 | 6.0 | IC50 | ChEMBL;BindingDB |