Compound Detail
CHEMBL5287531
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Basic Information
| ChEMBL ID | CHEMBL5287531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAJKTHRIWKTLDH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.58
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 6.65 | 6.65 | 222.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.08 | 6.08 | 832.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 222.0 | nM | 6.65 | Inhibition of MELK (unknown origin) | 32971426 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 832.0 | nM | 6.08 | Inhibition of JAK3 (unknown origin) incubated for 45 mins by LC-MS/MS analysis | 32971426 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 832.0 | nM | 6.08 | Inhibition of JAK3 (unknown origin) preincubated for 1 hr followed by substrate ... | 32971426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32971426 | 10.1016/j.ejmech.2020.112836 | Tyrosine-protein kinase JAK3 | 2 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Maternal embryonic leucine zipper kinase | 1 |
Data from ChEMBL 36 via Core Engine