Compound Detail
CHEMBL495330
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Basic Information
| ChEMBL ID | CHEMBL495330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQXUFIFTFVOCHC-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.16
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Blood CHEMBL613416 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.83 | 6.83 | 149.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.88 | 5.88 | 1335.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.2 | 5.2 | 6292.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of LPS-induced TNFalpha production in human THP1 cells | 18817365 |
| Mitogen-activated protein kinase 14 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of p38alpha | 18817365 |
| Blood | IC50 | = | 3.5 | nM | 8.46 | Inhibition of TNF-alpha-induced IL8 production in human whole blood cells | 18817365 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 149.0 | nM | 6.83 | Inhibition of cKit | 18817365 |
| Tyrosine-protein kinase Lck | IC50 | = | 1335.0 | nM | 5.88 | Inhibition of Lck | 18817365 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6292.0 | nM | 5.2 | Inhibition of KDR | 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 |
Data from ChEMBL 36 via Core Engine