Compound Detail
CHEMBL200381
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Basic Information
| ChEMBL ID | CHEMBL200381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMEUKWOOQOHUNA-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
404.8
MW (Da)
5.04
ALogP
6
HBA
2
HBD
86.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.16 | 5.615 | 700.0 | 2 |
| Monocyte CHEMBL614076 | IC50 | 5.96 | 5.96 | 1100.0 | 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 | = | 50.0 | nM | 7.3 | Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphor... | 16165349 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA | 17664070 |
| Interferon-induced, double-stranded RNA-activated protein kinase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10... | 21632247 |
| MAP kinase p38 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of LPS-induced TNFalpha production in primary human monocytes | 16165349 |
| Monocyte | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of LPS-induced TNFalpha production in human monocytes | 17664070 |
| MAP kinase p38 | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of LPS-induced TNFalpha production in human whole blood | 16165349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398362 | 10.1042/bj20121418 | Insulin receptor | 4 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 5/CDK5 activator 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase HCK | 4 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase mTOR | 4 |
| 23398362 | 10.1042/bj20121418 | Protein kinase C beta type | 4 |
| 23398362 | 10.1042/bj20121418 | Insulin-like growth factor 1 receptor | 4 |
| 23398362 | 10.1042/bj20121418 | cGMP-dependent protein kinase 1 | 4 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase Lck | 4 |
| 16165349 | 10.1016/j.bmcl.2005.08.029 | MAP kinase p38 | 3 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin A | 2 |
| 23398362 | 10.1042/bj20121418 | Fibroblast growth factor receptor 3 | 2 |
| 23398362 | 10.1042/bj20121418 | Tyrosine-protein kinase ABL2 | 2 |
| 23398362 | 10.1042/bj20121418 | Serine/threonine-protein kinase Nek7 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 23398362 | 10.1042/bj20121418 | Dual specificity mitogen-activated protein kinase kinase 1 | 2 |
| 23398362 | 10.1042/bj20121418 | Casein kinase I isoform delta | 2 |
| 23398362 | 10.1042/bj20121418 | Aurora kinase A | 2 |
| 23398362 | 10.1042/bj20121418 | Mitogen-activated protein kinase 10 | 2 |
| 23398362 | 10.1042/bj20121418 | Cyclin-dependent kinase 2/cyclin E | 2 |
| 23398362 | 10.1042/bj20121418 | Death-associated protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine