histaprodifen
| SMILES | NCCc1cnc([nH]1)CCC(c1ccccc1)c1ccccc1 |
| InChIKey | BPZGZNLONLANFE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 305.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/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 | Rat | Histamine | A | pKd | 8.04 | 8.04 | 8.04 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 4.34 | 4.34 | 4.34 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.8 | 8.97 | 9.11 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKd | 4.85 | 4.85 | 4.85 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.7 | 5.7 | 5.7 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Rat | Histamine | A | pEC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pEC50 | 5.71 | 6.5 | 6.8 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 6.1 | 6.1 | 6.1 | ChEMBL |