Compound Detail
CHEMBL279377
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL279377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXUFSIDDYWPGJO-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.78
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.61 | 6.495 | 248.0 | 2 |
| SW1353 CHEMBL614944 | IC50 | 6.04 | 6.04 | 905.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 5.77 | 5.77 | 1700.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 248.0 | nM | 6.61 | Inhibition of p38 alpha-2 kinase | 11140741 |
| Mitogen-activated protein kinase 14 | IC50 | = | 413.0 | nM | 6.38 | Inhibition of Mitogen-activated protein kinase p38 alpha 2 | 11140741 |
| SW1353 | IC50 | = | 905.0 | nM | 6.04 | Inhibition of IL-6 production by SW1353 cells treated with both cytokines IL-1 a... | 11140741 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory concentration against raf kinase. | 11591521 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Raf1 kinase | 18346893 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Raf-1 | 18947905 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of RAF1 (unknown origin) | 34402300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140741 | 10.1016/s0960-894x(00)00574-6 | Mitogen-activated protein kinase 14 | 3 |
| 11591521 | 10.1016/s0960-894x(01)00571-6 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 11140741 | 10.1016/s0960-894x(00)00574-6 | SW1353 | 1 |
| 11140741 | 10.1016/s0960-894x(00)00574-6 | No relevant target | 1 |
| 18346893 | 10.1016/j.bmcl.2008.02.068 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18947905 | 10.1016/j.ejmech.2008.09.016 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 34402300 | 10.1021/acs.jmedchem.0c02167 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine