triprolidine
| SMILES | Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1 |
| InChIKey | CBEQULMOCCWAQT-WOJGMQOQSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 278.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
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 | 8.5 | 8.75 | 9.0 | Guide to Pharmacology |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.78 | 8.78 | 8.78 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 9.9 | 9.9 | 9.9 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 8.39 | 9.34 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.94 | 9.15 | 9.51 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 8.25 | 8.25 | 8.25 | PDSP Ki database |
| H1 | HRH1 | Mouse | Histamine | A | pKi | 8.04 | 8.04 | 8.04 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.0 | 8.0 | 8.0 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 7.3 | 7.3 | 7.3 | ChEMBL |