Molecule Details
| InChIKey | JHVAMHSQVVQIOT-MFAJLEFUSA-N |
|---|---|
| Compound Name | Anidulafungin |
| Canonical SMILES | CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.74 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O13383 | CaFKS1 | Candida albicans | Pathogen | PF23605 PF02364 | 8.8 | IC50 | BindingDB |
| O13423 | GSL2 | Candida albicans | Pathogen | PF14288 PF23605 PF02364 | 7.8 | IC50 | BindingDB |
| B6S6L8 | FKS1 | Candida tropicalis | Pathogen | PF14288 PF23605 PF02364 | 7.6 | IC50 | BindingDB |
| P87204 | FKS | Aspergillus fumigatus | Pathogen | PF14288 PF23605 PF02364 | 7.5 | IC50 | BindingDB |
| F5BCZ9 | FKS2 | Candida glabrata | Pathogen | PF14288 PF23605 PF02364 | 7.0 | IC50 | BindingDB |