CHEMBL4285386
| SMILES | COc1ccccc1C1(N2CCN(c3cccnc3)CC2)C(=O)N(S(=O)(=O)c2ccccc2OC)c2ccc(Cl)cc21 |
| InChIKey | TXDFHOMIDMZXIU-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 604.2 |
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 | 7.33 | 7.33 | 7.33 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |