Compound Detail
CHEMBL301838
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Basic Information
| ChEMBL ID | CHEMBL301838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWBLRJLABGGWPP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.23
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Ki | 6.31 | 6.125 | 489.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 489.78 | nM | 6.31 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
| Histamine H3 receptor | Ki | = | 1148.15 | nM | 5.94 | Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistami... | 10406649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406649 | 10.1016/s0960-894x(99)00272-3 | Histamine H3 receptor | 3 |
Data from ChEMBL 36 via Core Engine