CHEMBL87887
SMILES | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1 |
InChIKey | QPWGTBVZQDMKHE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 12 |
Molecular weight (Da) | 523.3 |
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 |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |