Compound Detail
CHEMBL444353
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Basic Information
| ChEMBL ID | CHEMBL444353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVHQTOGEHBNYHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
1.60
ALogP
5
HBA
1
HBD
51.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 12.0 | nM | 7.92 | Binding affinity for H1 histamine receptor expressed in CHO cells | 15771458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771458 | 10.1021/jm049495j | Rattus norvegicus | 7 |
| 15771458 | 10.1021/jm049495j | Cavia porcellus | 5 |
| 15771458 | 10.1021/jm049495j | No relevant target | 4 |
| 15771458 | 10.1021/jm049495j | Canis familiaris | 3 |
| 15771458 | 10.1021/jm049495j | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine