CHEMBL3416884
SMILES | CN1CCC(n2cc(C(=O)N3CCC4(CC3)OCc3ccccc34)c3ccc(Cl)cc32)CC1 |
InChIKey | XGRPTTMNFURMQP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 463.2 |
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 | Human | Vasopressin and oxytocin | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
V1A | V1AR | Mouse | Vasopressin and oxytocin | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |