Molecule Details
| InChIKey | DJKJVWJQAVGLHJ-YPMHNXCESA-N |
|---|---|
| Compound Name | (+/-)-(7aR*,11aR*)-5,6,7a,8,9,10,11,11a-Octahydro-4-(1-piperazinyl)-benzofuran[2,3-h]quinazolin-2-amine |
| Canonical SMILES | Nc1nc2c(c(N3CCNCC3)n1)CCC1=C2[C@@H]2CCCC[C@@H]2O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.53 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32246 | CCR1 | Homo sapiens | Human | PF00001 | 10.2 | IC50 | ChEMBL |
| P37288 | AVPR1A | Homo sapiens | Human | PF00001 PF08983 | 8.5 | IC50 | ChEMBL |
| P21452 | TACR2 | Homo sapiens | Human | PF00001 | 8.4 | IC50 | ChEMBL |
| Q9H3N8 | HRH4 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 6.5 | Ki | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.3 | Ki | ChEMBL |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL;BindingDB |