lixivaptan
| SMILES | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C |
| InChIKey | PPHTXRNHTVLQED-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 473.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 7.05 | 7.78 | 8.64 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.22 | 6.29 | 7.36 | ChEMBL |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 8.9 | 9.05 | 9.2 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| OT | OXYR | Human | Vasopressin and oxytocin | A | pIC50 | 6.29 | 6.29 | 6.29 | ChEMBL |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 7.04 | 8.42 | 9.0 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 6.64 | 6.76 | 6.91 | ChEMBL |
| V1A | V1AR | Rat | Vasopressin and oxytocin | A | pIC50 | 6.39 | 6.6 | 7.09 | ChEMBL |
| V2 | V2R | Rat | Vasopressin and oxytocin | A | pIC50 | 8.64 | 8.8 | 9.3 | ChEMBL |