CHEMBL143341
SMILES | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)NCc4ccccc43)CC2)cc1 |
InChIKey | ARYCLQZCSNCCEN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 450.2 |
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 |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 4.21 | 4.21 | 4.21 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |