Compound Detail
CHEMBL2171127
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Basic Information
| ChEMBL ID | CHEMBL2171127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYPSWGQEIRWPRG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.40
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.99 | 5.99 | 1023.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylat... | 22827572 |
| Aurora kinase B | IC50 | = | 58.0 | nM | 7.24 | Inhibition of Aurora B | 22827572 |
| Tyrosine-protein kinase Lck | IC50 | = | 1023.0 | nM | 5.99 | Inhibition of LCK | 22827572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22827572 | 10.1021/jm300713s | Unchecked | 2 |
| 22827572 | 10.1021/jm300713s | Eukaryotic translation initiation factor 2-alpha kinase 3 | 1 |
| 22827572 | 10.1021/jm300713s | Tyrosine-protein kinase Lck | 1 |
| 22827572 | 10.1021/jm300713s | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine