Molecule Details
| InChIKey | GYHCTFXIZSNGJT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tolvaptan |
| Canonical SMILES | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.75 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P34998 | CRHR1 | Homo sapiens | Human | PF00002 PF02793 | 9.1 | Ki | BindingDB |
| P30518 | AVPR2 | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P37288 | AVPR1A | Homo sapiens | Human | PF00001 PF08983 | 6.5 | Ki | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |