CHEMBL214311
SMILES | Clc1ccc(CNCC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 |
InChIKey | BOQXUEKBVIXPKQ-JSGCOSHPSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 275.1 |
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 | 7.43 | 7.43 | 7.43 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
H4 | HRH4 | Human | Histamine | A | pIC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pIC50 | 8.07 | 8.07 | 8.07 | ChEMBL |