Compound Detail
CHEMBL151430
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Basic Information
| ChEMBL ID | CHEMBL151430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRMGABUTBNWSLA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
389.1
MW (Da)
2.11
ALogP
3
HBA
4
HBD
99.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.22 | 6.91 | 6.0 | 2 |
| Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) CHEMBL2111351 | IC50 | 5.89 | 5.89 | 1288.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 5.89 | 5.89 | 1288.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of MEK1 (unknown origin) | 23584542 |
| Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK) | IC50 | = | 1288.0 | nM | 5.89 | Inhibition of kinase activity of Raf/MEK/ERK kinase cascade in ELISA | 11784156 |
| Mitogen-activated protein kinase 1 | IC50 | = | 1288.0 | nM | 5.89 | 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 |
| 23584542 | 10.1016/j.ejmech.2013.03.029 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Mus musculus | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine