Compound Detail
CHEMBL2171122
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Basic Information
| ChEMBL ID | CHEMBL2171122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWZXRCBCAYLKPI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
4.00
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 1 CHEMBL6029 | IC50 | 6.67 | 6.67 | 214.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | IC50 | 6.54 | 6.54 | 291.0 | 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 | = | 0.2 | nM | 9.7 | Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylat... | 22827572 |
| Eukaryotic translation initiation factor 2-alpha kinase 1 | IC50 | = | 214.0 | nM | 6.67 | Inhibition of HRI assessed as EIF2AK1 phosphorylation | 22827572 |
| Interferon-induced, double-stranded RNA-activated protein kinase | IC50 | = | 291.0 | nM | 6.54 | Inhibition of PKR assessed as EIF2AK2 phosphorylation | 22827572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22827572 | 10.1021/jm300713s | Eukaryotic translation initiation factor 2-alpha kinase 3 | 2 |
| 22827572 | 10.1021/jm300713s | Unchecked | 2 |
| 22827572 | 10.1021/jm300713s | Interferon-induced, double-stranded RNA-activated protein kinase | 1 |
| 22827572 | 10.1021/jm300713s | Eukaryotic translation initiation factor 2-alpha kinase 1 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek1 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek2 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek3 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek4 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek5 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek6 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek7 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek9 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek10 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek11 | 1 |
Data from ChEMBL 36 via Core Engine