CHEMBL1779410
SMILES | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN4CCN(C)CC4)ccc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)cc1 |
InChIKey | KEWYHZTWCRARDP-MFACQUFMSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 695.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 10.52 | 10.52 | 10.52 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |