Compound Detail
CHEMBL3407846
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Cn1cc(-c2ccc3c(c2)CCN3CC(=O)c2cc(F)cc(C(F)(F)F)c2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL3407846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWDWGLVLLJCBMR-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
4.62
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
EC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 9.0 | 8.3067 | 1.0 | 3 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| eIF-2-alpha kinase GCN2 CHEMBL5358 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3849.41 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 4.833 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 44.0 | % | Rattus norvegicus |
| MRT | 3.7 | 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