CHEMBL563779
| SMILES | COc1cccc2c1OC(c1ccc(OCCCN3CCC[C@@H]3C)cc1)C(C)S2(=O)=O |
| InChIKey | FWYZZPBECMKUCM-VVESCEMWSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 445.2 |
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 | 9.1 | 9.1 | 9.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H3 | HRH3 | Human | Histamine | A | pIC50 | 9.09 | 9.09 | 9.09 | ChEMBL |