Compound Detail
CHEMBL4593058
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Basic Information
| ChEMBL ID | CHEMBL4593058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USASTERQYJIQNG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
2.80
ALogP
8
HBA
3
HBD
106.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.07 | 6.07 | 852.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 5.64 | 5.64 | 2295.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 9.3 | nM | 8.03 | Inhibition of human JAK3 using TK-substrate-biotin preincubated for 5 mins follo... | 30853331 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 852.0 | nM | 6.07 | Inhibition of human JAK1 using TK-substrate-biotin preincubated for 5 mins follo... | 30853331 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 2295.0 | nM | 5.64 | Inhibition of human TYK2 using TK-substrate-biotin preincubated for 5 mins follo... | 30853331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30853331 | 10.1016/j.bmc.2019.03.009 | Unchecked | 2 |
| 30853331 | 10.1016/j.bmc.2019.03.009 | Tyrosine-protein kinase JAK3 | 1 |
| 30853331 | 10.1016/j.bmc.2019.03.009 | Tyrosine-protein kinase JAK2 | 1 |
| 30853331 | 10.1016/j.bmc.2019.03.009 | Tyrosine-protein kinase JAK1 | 1 |
| 30853331 | 10.1016/j.bmc.2019.03.009 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine