Compound Detail
CHEMBL558115
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Basic Information
| ChEMBL ID | CHEMBL558115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLEJJFVQPXRZGL-UPHRSURJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
5.50
ALogP
3
HBA
1
HBD
39.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.37 | 5.685 | 432.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biot... | 19427203 |
| Jurkat | IC50 | = | 432.0 | nM | 6.37 | Antiproliferative activity against JAK3 expressing IL2-stimulated human Jurkat c... | 19427203 |
| Jurkat | IC50 | = | 10000.0 | nM | 5.0 | Antiproliferative activity against JAK3 expressing human resting Jurkat cells | 19427203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19427203 | 10.1016/j.bmcl.2009.04.039 | Jurkat | 2 |
| 19427203 | 10.1016/j.bmcl.2009.04.039 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine