Compound Detail
CHEMBL4125798
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Basic Information
| ChEMBL ID | CHEMBL4125798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTGAHNNBSHOQDJ-VAWYXSNFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
5.19
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.26 | 6.26 | 548.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 548.0 | nM | 6.26 | Inhibition of recombinant human JAK3 (781 to 1124 residues) expressed in baculov... | 29852068 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 548.0 | nM | 6.26 | Inhibition of human His-tagged/TEV fused recombinant JAK3 kinase domain (781 to ... | 27840070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29852068 | 10.1021/acs.jmedchem.8b00571 | Tyrosine-protein kinase JAK3 | 1 |
| 27840070 | 10.1016/j.chembiol.2016.10.008 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine