Compound Detail
CHEMBL2171125
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Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(C(F)(F)F)c2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL2171125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXVQGBJMIQCDEX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
13
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
4.51
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17.7 | mL.min-1.kg-1 | 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 3 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylat... | 22827572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22827572 | 10.1021/jm300713s | Rattus norvegicus | 1 |
| 22827572 | 10.1021/jm300713s | Eukaryotic translation initiation factor 2-alpha kinase 3 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek1 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek2 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek3 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek4 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek5 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek6 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek7 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek9 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek10 | 1 |
| 30108900 | 10.1039/C7MD00510E | Serine/threonine-protein kinase Nek11 | 1 |
Data from ChEMBL 36 via Core Engine