Molecule Details
| InChIKey | ZDBWLRLGUBSLPG-FDHYQTMZSA-N |
|---|---|
| Compound Name | SAFit2 |
| Canonical SMILES | COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13451 | FKBP5 | Homo sapiens | Human | PF00254 PF00515 PF13181 | 8.2 | Ki | ChEMBL;BindingDB |
| P68106 | FKBP1B | Homo sapiens | Human | PF00254 | 7.3 | IC50 | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.7 | Ki | ChEMBL |
| P62942 | FKBP1A | Homo sapiens | Human | PF00254 | 6.5 | IC50 | ChEMBL |