Compound Detail
CHEMBL4093499
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Basic Information
| ChEMBL ID | CHEMBL4093499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZKGORBEITZGMV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
4.62
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| INS1 CHEMBL613545 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL4105946 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| INS1 | EC50 | = | 30.0 | nM | 7.52 | Cytoprotective activity in rat INS-1 cells assessed as protection against tunica... | 28696115 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of PERK activation in rat INS-1 cells assessed as suppression of tuni... | 28696115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28696115 | 10.1021/acs.jmedchem.7b00435 | INS1 | 16 |
| 28696115 | 10.1021/acs.jmedchem.7b00435 | Mus musculus | 6 |
| 28696115 | 10.1021/acs.jmedchem.7b00435 | Eukaryotic translation initiation factor 2-alpha kinase 3 | 4 |
| 28696115 | 10.1021/acs.jmedchem.7b00435 | Beta-TC6 | 2 |
| 28696115 | 10.1021/acs.jmedchem.7b00435 | Unchecked | 2 |
| 28696115 | 10.1021/acs.jmedchem.7b00435 | Cyclic AMP-dependent transcription factor ATF-6 alpha | 2 |
Data from ChEMBL 36 via Core Engine