Compound Detail
CHEMBL2171139
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Basic Information
| ChEMBL ID | CHEMBL2171139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAVYMHNQQHXBIP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
3.63
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 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 9.4 | 8.46 | 0.4 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.2 | mL.min-1.kg-1 | Rattus norvegicus |
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 | = | 0.4 | nM | 9.4 | Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylat... | 22827572 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of thapsigargin-induced autophosphorylation of PERK in human A549 cel... | 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 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine