CHEMBL2146803
SMILES | COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |
InChIKey | KMFDXNUGIFDFHQ-LJQANCHMSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 411.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |