Compound Detail
CHEMBL5427277
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Basic Information
| ChEMBL ID | CHEMBL5427277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHFUHQSXZWFPTI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.64
ALogP
7
HBA
2
HBD
113.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 10.8 | 10.8 | 0.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.51 | 9.51 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 0.016 | nM | 10.8 | Inhibition of TYK2 JH2 (561 to 860 residues) (unknown origin) by HTRF assay | 36951608 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.31 | nM | 9.51 | Inhibition of JAK1 JH2 (unknown origin) | 36951608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 36951608 | 10.1021/acs.jmedchem.2c01800 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine