Molecule Details
| InChIKey | ACOCIZXLRWIONJ-PAJIOFOTSA-N |
|---|---|
| Compound Name | (1S,9aR,11aS)-9a,11a-dimethyl-1-(morpholine-4-carbonyl)-1,2,3,3a,3b,4,5,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-7-one |
| Canonical SMILES | C[C@]12CCC(=O)C=C1NCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)N1CCOCC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.79 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | pIC50 | TTD_MultiTarget |
| P31213 | SRD5A2 | Homo sapiens | Human | PF02544 | 8.2 | IC50 | ChEMBL |
| P31639 | SLC5A2 | Homo sapiens | Human | PF00474 | 8.2 | pIC50 | TTD_MultiTarget |
| P14060 | HSD3B1 | Homo sapiens | Human | PF01073 | 6.7 | Ki | ChEMBL |