Compound Detail
CHEMBL440356
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Basic Information
| ChEMBL ID | CHEMBL440356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INYSELGLAAADNH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
243.1
MW (Da)
1.09
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) CHEMBL2111351 | IC50 | 6.27 | 6.27 | 539.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 6.27 | 6.27 | 539.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) | IC50 | = | 539.0 | nM | 6.27 | Inhibition of kinase activity of Raf/MEK/ERK kinase cascade in ELISA | 11784156 |
| Mitogen-activated protein kinase 1 | IC50 | = | 539.0 | nM | 6.27 | Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activate... | 11784156 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of MEK1 phosphorylation by activated human recombinant Raf | 11784156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784156 | 10.1021/jm0102856 | Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) | 1 |
| 11784156 | 10.1021/jm0102856 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 11784156 | 10.1021/jm0102856 | Mitogen-activated protein kinase 1 | 1 |
| 11784156 | 10.1021/jm0102856 | Caco-2 | 1 |
| 11784156 | 10.1021/jm0102856 | LoVo | 1 |
| 9548881 | 10.1021/np970479h | Artemia | 1 |
Data from ChEMBL 36 via Core Engine