Compound Detail
CHEMBL356164
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Basic Information
| ChEMBL ID | CHEMBL356164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTWHNVAKXBNGFV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
267.9
MW (Da)
1.64
ALogP
1
HBA
2
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Pseudomonas aeruginosa CHEMBL348 | IC50 | 4.82 | 4.82 | 15000.0 | 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 | = | 2500.0 | nM | 5.6 | Inhibition of MEK1 phosphorylation by activated human recombinant Raf | 11784156 |
| Pseudomonas aeruginosa | IC50 | = | 15000.0 | nM | 4.82 | Antibiofilm activity against Pseudomonas aeruginosa PAO1 assessed as inhibition ... | 32072810 |
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 |
| - | 10.1021/np960113p | Ciona savignyi | 1 |
| 20166736 | 10.1021/np900539j | KB | 1 |
| 25666819 | 10.1016/j.bmcl.2015.01.013 | Cystathionine beta-synthase | 1 |
| 32072810 | 10.1021/acs.jnatprod.9b00863 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine