CHEMBL66985
SMILES | CCc1c(CN2CCC(Oc3cc(OC)c(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)cc3F)CC2)c(C)cc(C)[n+]1[O-] |
InChIKey | FVEMLZOMNFSTQP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 646.3 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 9.09 | 9.09 | 9.09 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |