CHEMBL467184
| SMILES | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 |
| InChIKey | DJBBIRTUOREGET-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 371.2 |
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 |
| OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
| V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |