CHEMBL1609894
SMILES | COc1ccccc1C1c2c(ncn(-c3ccccc3)c2=N)Oc2ccc3ccccc3c21 |
InChIKey | XQQREQRWWSPKLO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 431.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1B | V1BR | Human | Vasopressin and oxytocin | A | Potency | 4.46 | 4.46 | 4.46 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.75 | 4.75 | 4.75 | ChEMBL |