CHEMBL443817
| SMILES | C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CCc4ccccc4)n3)c(F)c2)CC1 |
| InChIKey | PLQMHKOGESLEAH-HSZRJFAPSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 589.3 |
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 |
| H3 | HRH3 | Rat | Histamine | A | pKi | 9.03 | 9.03 | 9.03 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |