methylhistaprodifen
| SMILES | CNCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 |
| InChIKey | YMVWDVNGNLXSKR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 319.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | H1 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| H1 | HRH1 | Rat | Histamine | A | pKd | 8.02 | 8.02 | 8.02 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 4.84 | 4.84 | 4.84 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 5.24 | 5.24 | 5.24 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.75 | 8.92 | 9.13 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKd | 5.09 | 5.09 | 5.09 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Rat | Histamine | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pEC50 | 6.31 | 7.06 | 7.4 | ChEMBL |