Compound Detail
CHEMBL476141
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Basic Information
| ChEMBL ID | CHEMBL476141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDEAKINSCUXXNF-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
5.44
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 8.6 | 8.325 | 2.5 | 2 |
| Heat shock protein beta-1 CHEMBL5976 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase LCK CHEMBL2480 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of p38alpha phosphorylation in IL-1-alpha-stimulated HLF cells | 18602262 |
| Mitogen-activated protein kinase 14 | Ki | = | 2.5 | nM | 8.6 | Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{... | 18602262 |
| Heat shock protein beta-1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of HSP27 phosphorylation in IL-1-alpha-stimulated HLF cells | 18602262 |
| Mitogen-activated protein kinase 14 | Ki | = | 9.0 | nM | 8.05 | Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRE... | 18602262 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of cRAF | 18602262 |
| PBMC | IC50 | = | 90.0 | nM | 7.05 | Inhibition of LPS-stimulated TNFalpha release in human PBMC by ELISA | 18602262 |
| Tyrosine-protein kinase Lyn | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of LYN | 18602262 |
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of mouse LCK | 18602262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Mitogen-activated protein kinase 14 | 3 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Unchecked | 2 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Mitogen-activated protein kinase 11 | 2 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Heat shock protein beta-1 | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | PBMC | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Proto-oncogene tyrosine-protein kinase LCK | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Tyrosine-protein kinase Lyn | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Mast/stem cell growth factor receptor Kit | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Tyrosine-protein kinase Lck | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Serine/threonine-protein kinase 10 | 1 |
| 18602262 | 10.1016/j.bmcl.2008.06.028 | Platelet-derived growth factor receptor alpha | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine