Compound Detail
CHEMBL3407852
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CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1
Basic Information
| ChEMBL ID | CHEMBL3407852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFTURBBKSPHDAZ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
5.88
ALogP
9
HBA
2
HBD
117.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
EC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 8.4 | 7.15 | 4.0 | 4 |
| eIF-2-alpha kinase GCN2 CHEMBL5358 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2183.56 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 9.5 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 48.0 | % | Rattus norvegicus |
| MRT | 3.9 | 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