Compound Detail
CHEMBL371658
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Basic Information
| ChEMBL ID | CHEMBL371658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXRDIWAVNLQFBI-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.58
ALogP
7
HBA
2
HBD
86.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.1 | 5.485 | 800.0 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphor... | 16165349 |
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 630.0 | nM | 6.2 | Inhibitory activity against MEK | 16165349 |
| MAP kinase p38 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of LPS-induced TNFalpha production in primary human monocytes | 16165349 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against Src | 16165349 |
| MAP kinase p38 | IC50 | = | 13600.0 | nM | 4.87 | Inhibition of LPS-induced TNFalpha production in human whole blood | 16165349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16165349 | 10.1016/j.bmcl.2005.08.029 | MAP kinase p38 | 3 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | MAP kinase-activated protein kinase 2 | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Protein kinase C (PKC) | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Epidermal growth factor receptor | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | No relevant target | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | ADMET | 1 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine