Compound Detail
CHEMBL1650954
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Basic Information
| ChEMBL ID | CHEMBL1650954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEYNTKLXQDXVGJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.82
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.37 | 6.37 | 423.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.04 | 5.04 | 9150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 423.0 | nM | 6.37 | Inhibition of GST-tagged Jak3 expressed in insect cells using 18 uM ATP | 21155605 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of GST-tagged Jak1 expressed in insect cells using 70 uM ATP | 21155605 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 9150.0 | nM | 5.04 | Inhibition of GST-tagged Jak2 expressed in insect cells using 20 uM ATP | 21155605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21155605 | 10.1021/jm101157q | Tyrosine-protein kinase JAK1 | 1 |
| 21155605 | 10.1021/jm101157q | Tyrosine-protein kinase JAK2 | 1 |
| 21155605 | 10.1021/jm101157q | Tyrosine-protein kinase JAK3 | 1 |
| 21155605 | 10.1021/jm101157q | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine