CHEMBL1641623
| SMILES | CCCCNCc1ccc(-c2cccc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1 |
| InChIKey | PUELNLUTVALFIG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 507.3 |
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 |
| V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |