CHEMBL1837041
SMILES | CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 |
InChIKey | WTDORPHQLSCAEW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 458.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 6.15 | 6.15 | 6.15 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 7.89 | 7.89 | 7.89 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |