CHEMBL107162
| SMILES | COc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 |
| InChIKey | WCZJQEWLLYRYTJ-FQEVSTJZSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 458.2 |
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 | Rat | Histamine | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |