CHEMBL4596881
SMILES | CC(C)(C)CNc1nccc(N2CC[C@@H](N)C2)n1 |
InChIKey | XOGNVWVGXPSTMU-SNVBAGLBSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 249.2 |
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 |
H4 | HRH4 | Human | Histamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 7.86 | 7.86 | 7.86 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Mouse | Histamine | A | pEC50 | 6.87 | 7.62 | 8.38 | ChEMBL |
H4 | HRH4 | Rat | Histamine | A | pEC50 | 7.47 | 8.11 | 8.75 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pEC50 | 7.84 | 8.14 | 8.45 | ChEMBL |