CHEMBL1837040
SMILES | CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 |
InChIKey | QWHITGKBRLEYSC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 422.2 |
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 |
V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 5.35 | 5.35 | 5.35 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pEC50 | 6.67 | 6.67 | 6.67 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 8.32 | 8.32 | 8.32 | ChEMBL |