CHEMBL467185
SMILES | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 |
InChIKey | ITRKTGHAVVSQOD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 402.2 |
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 |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
V2 | V2R | Human | Vasopressin and oxytocin | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
V1A | V1AR | Human | Vasopressin and oxytocin | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |