CHEMBL575972
SMILES | O=S(=O)(CCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1 |
InChIKey | OJJXSTUFZUNQQP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 607.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1B | V1BR | Rat | Vasopressin and oxytocin | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.25 | 5.25 | 5.25 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |