Compound Detail
CHEMBL3407851
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CNc1ncc2ccc(Oc3cc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)ccc3Cl)cc2n1
Basic Information
| ChEMBL ID | CHEMBL3407851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTKYUQAQPQMHNJ-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
562.0
MW (Da)
6.50
ALogP
8
HBA
1
HBD
91.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
EC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 8.3 | 7.0175 | 5.0 | 4 |
| eIF-2-alpha kinase GCN2 CHEMBL5358 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 167.0 | mL.min-1.g-1 | 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 | eIF-2-alpha kinase GCN2 | 1 |
| 25587754 | 10.1021/jm5017494 | Serine/threonine-protein kinase B-raf | 1 |
| 25587754 | 10.1021/jm5017494 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine