CHEMBL1807277
| SMILES | CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1 |
| InChIKey | NGTVHCHZVOPQMS-JANGERMGSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 422.1 |
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 | Rat | Vasopressin and oxytocin | A | pKi | 6.77 | 6.86 | 6.94 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.56 | 8.62 | 8.68 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |