CHEMBL142324
SMILES | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 |
InChIKey | NSVGIITTZNEHBU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 491.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 4.42 | 4.42 | 4.42 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |