CHEMBL318392
SMILES | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl |
InChIKey | UFARQGNCEDRJRW-IBYOELKQSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 519.1 |
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 |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pIC50 | 7.89 | 7.89 | 7.89 | ChEMBL |