CHEMBL196220
| SMILES | O=C(N[C@H](CN1CCC(OC2c3ccccc3CCc3ccccc32)CC1)C(=O)O)OCc1ccccc1 |
| InChIKey | KJLOHSGXUVVIEV-MUUNZHRXSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 514.2 |
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 |
| H1 | HRH1 | Human | Histamine | A | pKd | 6.39 | 6.39 | 6.39 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CysLT1 | CLTR1 | Guinea pig | Leukotriene | A | pIC50 | 5.81 | 5.81 | 5.81 | ChEMBL |