CHEMBL16565
SMILES | O=C(Nc1ccc(C(F)(F)F)cc1)OCCCc1c[nH]cn1 |
InChIKey | VVGXIYVZJGKQDO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 313.1 |
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 |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
H3 | HRH3 | Rat | Histamine | A | pKi | 7.8 | 7.81 | 7.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |