Compound Detail
CHEMBL1835062
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Basic Information
| ChEMBL ID | CHEMBL1835062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWYGQPPOOUSMRI-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.79
ALogP
6
HBA
4
HBD
105.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of human ERG expressed in CHO-K1 cells after 2 hrs by Cy3b-Dofetilide... | 21903390 |
| Tyrosine-protein kinase SYK | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation... | 21903390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Tyrosine-protein kinase SYK | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Aurora kinase B | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 21903390 | 10.1016/j.bmcl.2011.07.082 | B cell | 1 |
Data from ChEMBL 36 via Core Engine