CHEMBL1767167
SMILES | O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCCc1ccc(OCCCN2CCCCCC2)cc1 |
InChIKey | GQWSXILTLUTBAJ-PGUFJCEWSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 15 |
Molecular weight (Da) | 654.4 |
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 | Human | Histamine | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKd | 8.9 | 8.9 | 8.9 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |