CHEMBL1767137
SMILES | COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |
InChIKey | MBVVVQZOMZFVJF-QGZVFWFLSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 363.2 |
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 |
H1 | HRH1 | Human | Histamine | A | pKi | 10.0 | 10.0 | 10.0 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |