Molecule Details
| InChIKey | PZQBEQJPTLKNCJ-IYGWWRMHSA-N |
|---|---|
| Compound Name | (1S,9aR,11aS)-N-(1-adamantyl)-5,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,9b,10,11-octahydro-1H-cyclopenta[i]phenanthridine-1-carboxamide |
| Canonical SMILES | CN1CC2C(CC[C@@]3(C)C2CC[C@@H]3C(=O)NC23CC4CC(CC(C4)C2)C3)[C@@]2(C)C=CC(=O)C=C12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| 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 | 9.5 | 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 |