CHEMBL5573992
| SMILES | CNC1CCc2nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n2-c2ccc(Cl)cc21 |
| InChIKey | NNQZGZALFWHWGN-JTQDMSAYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 423.2 |
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 | 8.89 | 8.89 | 8.89 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |