Compound Detail
CHEMBL4572426
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Basic Information
| ChEMBL ID | CHEMBL4572426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUYHVIMWHBTZRJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
4.18
ALogP
8
HBA
3
HBD
106.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JAK1/TYK2 CHEMBL3301391 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| JAK1/TYK2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT p... | 31318208 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced... | 31318208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31318208 | 10.1021/acs.jmedchem.9b00444 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 31318208 | 10.1021/acs.jmedchem.9b00444 | JAK1/TYK2 | 1 |
| 31318208 | 10.1021/acs.jmedchem.9b00444 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine