Compound Detail
CHEMBL5439582
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Basic Information
| ChEMBL ID | CHEMBL5439582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGOMDEPURZKKQR-ZWKOTPCHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
415.9
MW (Da)
3.60
ALogP
4
HBA
3
HBD
73.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.06 | 7.06 | 87.8 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.94 | 6.94 | 115.5 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.34 | 6.34 | 458.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 3.32 | nM | 8.48 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 38031930 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 87.8 | nM | 7.06 | Inhibition of recombinant JAK2 (unknown origin) using GFP-STAT1 as substrate inc... | 38031930 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 115.5 | nM | 6.94 | Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate inc... | 38031930 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 458.5 | nM | 6.34 | Inhibition of recombinant TYK2 (unknown origin) using GFP-STAT1 as substrate inc... | 38031930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Unchecked | 3 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Tyrosine-protein kinase JAK3 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Tyrosine-protein kinase JAK1 | 1 |
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine