CHEMBL1086105
| SMILES | Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 |
| InChIKey | MGPIMNVSULKFFK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 419.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H4 | HRH4 | Mouse | Histamine | A | pKd | 4.8 | 4.8 | 4.8 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H4 | HRH4 | Mouse | Histamine | A | pEC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pEC50 | 8.48 | 8.48 | 8.48 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pEC50 | 6.88 | 6.88 | 6.88 | ChEMBL |
| H3 | HRH3 | Human | Histamine | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |