Molecule Details
| InChIKey | HTWKRBASUILJNN-PKOBYXMFSA-N |
|---|---|
| Compound Name | (3aS,9bS)-3,3a-dimethyl-6-phenyl-1,2,4,9b-tetrahydrochromeno[3,4-b]pyrrole |
| Canonical SMILES | CN1CC[C@H]2c3cccc(-c4ccccc4)c3OC[C@]21C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.96 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.3 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.5 | Ki | ChEMBL;BindingDB |