Compound Detail
CHEMBL574005
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Basic Information
| ChEMBL ID | CHEMBL574005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSPJVQTYLGJMGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
450.3
MW (Da)
3.64
ALogP
6
HBA
4
HBD
99.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 1 CHEMBL6029 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 31.67 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 18.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Canis lupus familiaris |
| T1/2 | 1.0 | hr | 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 1 | IC50 | = | 31.62 | nM | 7.5 | Inhibition of human HRI kinase | 19854648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19854648 | 10.1016/j.bmcl.2009.10.033 | Rattus norvegicus | 3 |
| 19854648 | 10.1016/j.bmcl.2009.10.033 | Liver microsomes | 2 |
| 19854648 | 10.1016/j.bmcl.2009.10.033 | Plasma | 2 |
| 19854648 | 10.1016/j.bmcl.2009.10.033 | Eukaryotic translation initiation factor 2-alpha kinase 1 | 1 |
| 19854648 | 10.1016/j.bmcl.2009.10.033 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine