CHEMBL1807276
SMILES | O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1 |
InChIKey | BFOCNLAHZCLTJK-OAQYLSRUSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 446.2 |
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 | 6.89 | 6.89 | 6.89 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |