Compound Detail
CHEMBL539843
VAPITADINE DIHYDROCHLORIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL539843 |
| Name | VAPITADINE DIHYDROCHLORIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BOYLPLUVCXUHDJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL369075 |
| Active Moiety | CHEMBL369075 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
4
Known Names
1
Mechanisms
Molecular Properties
296.4
MW (Da)
1.21
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Histamine H1 receptor antagonist | ANTAGONIST | Histamine H1 receptor | ✓ | ✓ |
Activity Summary
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 19.0 | nM | 7.72 | Binding affinity for H1 histamine receptor expressed in CHO cells | 15771458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771458 | 10.1021/jm049495j | No relevant target | 15 |
| 15771458 | 10.1021/jm049495j | Rattus norvegicus | 7 |
| 15771458 | 10.1021/jm049495j | Cavia porcellus | 5 |
| 15771458 | 10.1021/jm049495j | Canis familiaris | 3 |
| 15771458 | 10.1021/jm049495j | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine