CHEMBL5933571
| SMILES | CCN(CC)C[C@H]1C[C@@H](c2ccc3nc(-c4cccc(Cl)c4)n(CC(=O)NC(C)C)c(=O)c3c2)C1 |
| InChIKey | BLSYKGJJMBAOEO-IQGASKDCSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 494.2 |
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 |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.26 | 7.26 | 7.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |