Compound Detail
CHEMBL3407857
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CNc1nc2ccc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2s1
Basic Information
| ChEMBL ID | CHEMBL3407857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUIZYNXJUPSUNY-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
6.28
ALogP
8
HBA
2
HBD
94.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.05
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 8.05 | 6.89 | 9.0 | 5 |
| eIF-2-alpha kinase GCN2 CHEMBL5358 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1364.17 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 10.67 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 35.0 | % | Rattus norvegicus |
| MRT | 3.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25587754 | 10.1021/jm5017494 | Eukaryotic translation initiation factor 2-alpha kinase 3 | 6 |
| 25587754 | 10.1021/jm5017494 | Rattus norvegicus | 5 |
| 25587754 | 10.1021/jm5017494 | eIF-2-alpha kinase GCN2 | 1 |
| 25587754 | 10.1021/jm5017494 | Serine/threonine-protein kinase B-raf | 1 |
Data from ChEMBL 36 via Core Engine