Compound Detail
CHEMBL62804
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Basic Information
| ChEMBL ID | CHEMBL62804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPXVCGPCRXEDLT-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
1.54
ALogP
5
HBA
1
HBD
75.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 7.69 | 7.69 | 20.4 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.38 | 4.38 | 41686.9 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 4.27 | 4.27 | 53703.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 20.42 | nM | 7.69 | Binding affinity towards Histamine H3 receptor of rat cortical membranes. | 12113836 |
| Histamine H2 receptor | Ki | = | 41686.94 | nM | 4.38 | Binding affinity towards Histamine H2 receptor from human membranes | 12113836 |
| Histamine H1 receptor | Ki | = | 53703.18 | nM | 4.27 | Binding affinity towards Histamine H1 receptor of human membranes. | 12113836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113836 | 10.1016/s0960-894x(02)00310-4 | Histamine H3 receptor | 1 |
| 12113836 | 10.1016/s0960-894x(02)00310-4 | Histamine H1 receptor | 1 |
| 12113836 | 10.1016/s0960-894x(02)00310-4 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine