Compound Detail
CHEMBL494072
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Basic Information
| ChEMBL ID | CHEMBL494072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNEXDVSJIUQQRH-UHFFFAOYSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.24
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 9.05 | 8.835 | 0.9 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| Blood CHEMBL613416 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.61 | 7.61 | 24.7 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.2 | 6.2 | 629.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.1 | 6.1 | 788.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of P38alpha MAPK (unknown origin) | 31445234 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of p38alpha | 18817365 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 10.5 | nM | 7.98 | Inhibition of KDR | 18817365 |
| Blood | IC50 | = | 10.7 | nM | 7.97 | Inhibition of TNF-alpha-induced IL8 production in human whole blood cells | 18817365 |
| THP-1 | IC50 | = | 24.7 | nM | 7.61 | Inhibition of LPS-induced TNFalpha production in human THP1 cells | 18817365 |
| Tyrosine-protein kinase Lck | IC50 | = | 122.0 | nM | 6.91 | Inhibition of Lck | 18817365 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 162.0 | nM | 6.79 | Inhibition of cKit | 18817365 |
| Mitogen-activated protein kinase 9 | IC50 | = | 629.0 | nM | 6.2 | Inhibition of JNK2 | 18817365 |
| Mitogen-activated protein kinase 10 | IC50 | = | 788.0 | nM | 6.1 | Inhibition of JNK3 | 18817365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 14 | 1 |
| 18817365 | 10.1021/jm8005417 | Vascular endothelial growth factor receptor 2 | 1 |
| 18817365 | 10.1021/jm8005417 | Tyrosine-protein kinase Lck | 1 |
| 18817365 | 10.1021/jm8005417 | Mast/stem cell growth factor receptor Kit | 1 |
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 8 | 1 |
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 9 | 1 |
| 18817365 | 10.1021/jm8005417 | Mitogen-activated protein kinase 10 | 1 |
| 18817365 | 10.1021/jm8005417 | THP-1 | 1 |
| 18817365 | 10.1021/jm8005417 | Blood | 1 |
| 31445234 | 10.1016/j.ejmech.2019.111624 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine