Compound Detail
CHEMBL2338334
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Basic Information
| ChEMBL ID | CHEMBL2338334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNBNPTNODRUPCB-YVGNARHYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.23
ALogP
4
HBA
0
HBD
46.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 CHEMBL2111345 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Serine/threonine-protein kinase Nek1 CHEMBL5855 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE a... | 23550937 |
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay | 23550937 |
| Serine/threonine-protein kinase Nek1 | IC50 | = | 83000.0 | nM | 4.08 | Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay | 23550937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23550937 | 10.1021/jm4002692 | MAP kinase-activated protein kinase 2 | 1 |
| 23550937 | 10.1021/jm4002692 | Mitogen-activated protein kinase 14 | 1 |
| 23550937 | 10.1021/jm4002692 | Vascular endothelial growth factor receptor 2 | 1 |
| 23550937 | 10.1021/jm4002692 | Serine/threonine-protein kinase Nek1 | 1 |
| 23550937 | 10.1021/jm4002692 | Mitogen-activated protein kinase 1 | 1 |
| 23550937 | 10.1021/jm4002692 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 23550937 | 10.1021/jm4002692 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 23550937 | 10.1021/jm4002692 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | 1 |
| 23550937 | 10.1021/jm4002692 | Ribosomal protein S6 kinase beta-1 | 1 |
| 23550937 | 10.1021/jm4002692 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 23550937 | 10.1021/jm4002692 | RAC-beta serine/threonine-protein kinase | 1 |
| 23550937 | 10.1021/jm4002692 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine