Compound Detail
CHEMBL4548200
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Basic Information
| ChEMBL ID | CHEMBL4548200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDUZSNLTYAVFJN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.04
ALogP
7
HBA
3
HBD
113.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JAK1/TYK2 CHEMBL3301391 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| JAK2/TYK2 CHEMBL3301392 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| JAK1/TYK2 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo ... | 31314518 |
| JAK2/TYK2 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of TYK2/JAK2 in IL23-stimulated human Kit225 cells by steady-glo luci... | 31314518 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of TYK2 JH2 domain in human whole blood assessed as inhibition of IFN... | 31314518 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human ERG by fluorescence polarization assay | 31314518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31314518 | 10.1021/acs.jmedchem.9b00443 | ADMET | 2 |
| 31314518 | 10.1021/acs.jmedchem.9b00443 | JAK2/TYK2 | 1 |
| 31314518 | 10.1021/acs.jmedchem.9b00443 | JAK1/TYK2 | 1 |
| 31314518 | 10.1021/acs.jmedchem.9b00443 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 31314518 | 10.1021/acs.jmedchem.9b00443 | Mast/stem cell growth factor receptor Kit | 1 |
| 31314518 | 10.1021/acs.jmedchem.9b00443 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine