Molecule Details
| InChIKey | MWIASLNTAGRGGA-ZJPWWDJASA-N |
|---|---|
| Compound Name | (2S)-2-amino-N-[(1S,2S,4R)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide |
| Canonical SMILES | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL |
| P30559 | OXTR | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 7.2 | Ki | ChEMBL |
| P37288 | AVPR1A | Homo sapiens | Human | PF00001 PF08983 | 6.8 | Ki | ChEMBL;BindingDB |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.5 | Ki | ChEMBL |
| P30518 | AVPR2 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |