Compound Detail
CHEMBL5278864
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Basic Information
| ChEMBL ID | CHEMBL5278864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBACTZXZNFJQGT-GHXNOFRVSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.02
ALogP
4
HBA
2
HBD
108.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.11 | 8.49 | 0.8 | 3 |
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 7.59 | 7.59 | 25.5 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897 | IC50 | 6.55 | 6.55 | 281.0 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 6.4 | 6.4 | 399.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.77 | nM | 9.11 | Inhibition of JAK3 (unknown origin) incubated for 45 mins by LC-MS/MS analysis | 32971426 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.77 | nM | 9.11 | Inhibition of JAK3 (unknown origin) preincubated for 1 hr followed by substrate ... | 32971426 |
| Maternal embryonic leucine zipper kinase | IC50 | = | 25.5 | nM | 7.59 | Inhibition of MELK (unknown origin) | 32971426 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 55.9 | nM | 7.25 | Inhibition of JAK3 (unknown origin) incubated for 45 mins by LC-MS/MS analysis | 32971426 |
| Dual specificity mitogen-activated protein kinase kinase 4 | IC50 | = | 281.0 | nM | 6.55 | Inhibition of MAP2K4 (unknown origin) at 100 uM preincubated for 1 hr followed b... | 32971426 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 399.0 | nM | 6.4 | Inhibition of RSK2 (unknown origin) at 100 uM preincubated for 1 hr followed by ... | 32971426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32971426 | 10.1016/j.ejmech.2020.112836 | Tyrosine-protein kinase JAK3 | 3 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Ribosomal protein S6 kinase alpha-3 | 1 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Dual specificity mitogen-activated protein kinase kinase 4 | 1 |
| 32971426 | 10.1016/j.ejmech.2020.112836 | Maternal embryonic leucine zipper kinase | 1 |
Data from ChEMBL 36 via Core Engine