CHEMBL456263
| SMILES | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 |
| InChIKey | GNURBBYUBWBREM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 463.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
| OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.9 | 8.35 | 9.1 | ChEMBL |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 4.9 | 4.9 | 4.9 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |