CHEMBL5845864
| SMILES | COc1ccc(-n2c(C)nnc2N2CC(N3CCOc4cc(F)ccc43)C2)cn1 |
| InChIKey | NFSYVHQWTFPWQF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 396.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| V1B | V1BR | Human | Vasopressin and oxytocin | A | pIC50 | 4.11 | 4.11 | 4.11 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 4.64 | 4.64 | 4.64 | ChEMBL |