CHEMBL1779400
SMILES | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 |
InChIKey | JXDBAMPVBYMQEE-XGGVPNMNSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 630.2 |
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 | 8.89 | 8.89 | 8.89 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 7.26 | 7.26 | 7.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |