CHEMBL2017979
SMILES | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 |
InChIKey | FAVRBEXAAWYPRQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 555.2 |
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 |
V1A | V1AR | Prairie vole | Vasopressin and oxytocin | A | pKi | 7.11 | 7.11 | 7.11 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 5.32 | 5.32 | 5.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |