Compound Detail
CHEMBL2376793
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Basic Information
| ChEMBL ID | CHEMBL2376793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJEBESRHAPCDHQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
1.50
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.94 | 7.94 | 11.5 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 6.81 | 6.81 | 154.9 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.33 | 5.33 | 4677.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 11.48 | nM | 7.94 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 23558237 |
| Histamine H3 receptor | Ki | = | 154.88 | nM | 6.81 | Displacement of [3H]histamine from human histamine H3 receptor expressed in HEK ... | 23558237 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 4677.35 | nM | 5.33 | Displacement of [3H]astemizole from human ERG channel | 23558237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Unchecked | 1 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Histamine H3 receptor | 1 |
| 23558237 | 10.1016/j.bmcl.2013.02.091 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine