CHEMBL456263
SMILES | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 |
InChIKey | GNURBBYUBWBREM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 463.2 |
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 |
V1B | V1BR | Human | Vasopressin and oxytocin | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.9 | 8.35 | 9.1 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 4.9 | 4.9 | 4.9 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |