CHEMBL1935100
SMILES | C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)CC2)cc1 |
InChIKey | PXYUUQSMMYUYSP-CQSZACIVSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 315.2 |
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 | Human | Histamine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
H3 | HRH3 | Rat | Histamine | A | pKi | 8.06 | 8.06 | 8.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H3 | HRH3 | Human | Histamine | A | pEC50 | 9.15 | 9.15 | 9.15 | ChEMBL |