Compound Detail
CHEMBL1085560
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Basic Information
| ChEMBL ID | CHEMBL1085560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABCLYDOXFRWKNB-MRXNPFEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
4.81
ALogP
4
HBA
0
HBD
52.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.55 | 9.55 | 0.3 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.28 | nM | 9.55 | Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 recep... | 20457525 |
| Histamine H3 receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]N-alpha-methylhistamine from rat cloned histamine H3 recepto... | 20457525 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells | 20457525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20457525 | 10.1016/j.bmcl.2010.04.045 | Histamine H3 receptor | 2 |
| 20457525 | 10.1016/j.bmcl.2010.04.045 | Unchecked | 1 |
| 20457525 | 10.1016/j.bmcl.2010.04.045 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine