Compound Detail
CHEMBL18754
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Basic Information
| ChEMBL ID | CHEMBL18754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMHPPEKTDQSHDS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
4.36
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| SW1353 CHEMBL614944 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 5.31 | 5.31 | 4900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of Mitogen-activated protein kinase p38 alpha 2 | 11140741 |
| SW1353 | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of IL-6 production by SW1353 cells treated with both cytokines IL-1 a... | 11140741 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 4900.0 | nM | 5.31 | Inhibitory concentration against raf kinase. | 11591521 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of Raf1 kinase | 18346893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11591521 | 10.1016/s0960-894x(01)00571-6 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 11140741 | 10.1016/s0960-894x(00)00574-6 | Mitogen-activated protein kinase 14 | 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 |
Data from ChEMBL 36 via Core Engine