CHEMBL62716
| SMILES | CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 |
| InChIKey | SYSBZXCPPMQIMC-NRFANRHFSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 401.3 |
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 | 7.28 | 7.28 | 7.28 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 4.72 | 4.72 | 4.72 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 4.66 | 4.66 | 4.66 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |