CHEMBL293033
| SMILES | CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 |
| InChIKey | GYCWHNUGCXMJDF-OAQYLSRUSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 431.3 |
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 |
| H2 | HRH2 | Human | Histamine | A | pKi | 4.34 | 4.34 | 4.34 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 4.79 | 4.79 | 4.79 | ChEMBL |
| H3 | HRH3 | Rat | Histamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |