Compound Detail
CHEMBL359106
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Basic Information
| ChEMBL ID | CHEMBL359106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATBAETXFFCOZOY-QPJJXVBHSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
324.1
MW (Da)
0.07
ALogP
4
HBA
4
HBD
112.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
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 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 8.52 | 7.375 | 3.0 | 2 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.22 | 8.22 | 6.0 | 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 | = | 3.0 | nM | 8.52 | Inhibition of kinase activity of Raf/MEK/ERK kinase cascade in ELISA | 11784156 |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant human MAPK expressed in Escherichia coli assessed as r... | 36496202 |
| LoVo | IC50 | = | 3.0 | nM | 8.52 | Inhibition of cell growth in human LoVo cells by SRB assay | 36496202 |
| Mitogen-activated protein kinase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activate... | 11784156 |
| LoVo | IC50 | = | 586.0 | nM | 6.23 | Inhibition of human adenocarcinoma cell line LoVo proliferation | 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 |
| 36496202 | 10.1016/j.bmcl.2022.129102 | Unchecked | 1 |
| 36496202 | 10.1016/j.bmcl.2022.129102 | LoVo | 1 |
Data from ChEMBL 36 via Core Engine