Compound Detail
CHEMBL3355039
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Basic Information
| ChEMBL ID | CHEMBL3355039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IONZSURPPXELNI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.80
ALogP
6
HBA
1
HBD
76.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
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 | 8.35 | 0.4 | 2 |
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 | = | 0.3981 | nM | 9.4 | Inhibition of recombinant GST-tagged PERK (unknown origin) by LanthaScreen assay | 25589923 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 | IC50 | = | 50.12 | nM | 7.3 | Inhibition of PERK (unknown origin) expressed in HEK293 cells assessed as inhibi... | 25589923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25589923 | 10.1021/ml500482q | Eukaryotic translation initiation factor 2-alpha kinase 3 | 2 |
Data from ChEMBL 36 via Core Engine