CHEMBL344752
| SMILES | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 |
| InChIKey | IEEUPKSLKYFCDK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 505.3 |
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 | 7.82 | 7.82 | 7.82 | ChEMBL |
| V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
| OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
| OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 4.66 | 4.66 | 4.66 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |