CHEMBL2113189
SMILES | CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1 |
InChIKey | SBYOJGQINPGOFZ-FSRJSHLRSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 597.1 |
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 | 8.8 | 8.8 | 8.8 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.57 | 8.57 | 8.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OT | OXYR | Human | Vasopressin and oxytocin | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |