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 | pKd | 9.9 | 9.9 | 9.9 | ChEMBL |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 8.78 | 8.78 | 8.78 | 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 |