CHEMBL446885
SMILES | CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 |
InChIKey | HKYLTVCKKUPKSQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 452.2 |
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 |
H3 | HRH3 | Rat | Histamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |