Compound Detail
CHEMBL4543090
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Basic Information
| ChEMBL ID | CHEMBL4543090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSCIYRUDJIFMOT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
2.82
ALogP
6
HBA
4
HBD
108.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| JAK1/TYK2 CHEMBL3301391 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of TYK2 (unknown origin) (575 to 869 residues) by HTRF assay | 38781921 |
| JAK1/TYK2 | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT p... | 31318208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31318208 | 10.1021/acs.jmedchem.9b00444 | JAK1/TYK2 | 1 |
| 31318208 | 10.1021/acs.jmedchem.9b00444 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 38781921 | 10.1016/j.ejmech.2024.116364 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine