Molecule Details
| InChIKey | UKYYVYAVVDHSBL-FDCCBWRUSA-N |
|---|---|
| Compound Name | (1S,9aR,11aS)-9a,11a-dimethyl-1-[2,4,6-tri(propan-2-yl)benzoyl]-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one |
| Canonical SMILES | CC(C)c1cc(C(C)C)c(C(=O)[C@H]2CCC3C4CNC5=CC(=O)CC[C@]5(C)C4CC[C@@]32C)c(C(C)C)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.24 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 9.3 | IC50 | ChEMBL |
| P18405 | SRD5A1 | Homo sapiens | Human | PF02544 | 6.5 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | pIC50 | TTD_MultiTarget |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 6.5 | pIC50 | TTD_MultiTarget |