CHEMBL3416858
| SMILES | CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 |
| InChIKey | WOOMTSKDELSZEB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 389.2 |
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 | 4.92 | 4.92 | 4.92 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |