CHEMBL2387310
| SMILES | CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1 |
| InChIKey | HSQYVRJHKHVEKA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 415.2 |
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 | Q865E1 | Rhesus macaque | Histamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| H3 | HRH3 | Rat | Histamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 7.78 | 7.78 | 7.78 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H3 | HRH3 | Human | Histamine | A | pIC50 | 9.22 | 9.22 | 9.22 | ChEMBL |