CHEMBL603205
| SMILES | COc1ccc(-n2c(C)nnc2N2CC[C@@H](Oc3ccccc3)C2)cn1 |
| InChIKey | WVFYHTPKCKLCDM-QGZVFWFLSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 351.2 |
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 |
| OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
| V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |