Compound Detail
CHEMBL383172
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Basic Information
| ChEMBL ID | CHEMBL383172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLIDQWKTZPUAMJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
4.00
ALogP
8
HBA
3
HBD
128.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.39
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | Ki | = | 1.6 | nM | 8.8 | Binding affinity for human p38 MAP kinase expressed in Escherichia coli using [g... | 16190753 |
| Mitogen-activated protein kinase 14 | IC50 | = | 4.1 | nM | 8.39 | Inhibitory concentration against p38 alpha | 16190753 |
| PBMC | IC50 | = | 3500.0 | nM | 5.46 | Concentration required to inhibit LPS-induced TNFalpha production in human perip... | 16190753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190753 | 10.1021/jm0503594 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 16190753 | 10.1021/jm0503594 | Cyclin-dependent kinase 2 | 1 |
| 16190753 | 10.1021/jm0503594 | cAMP-dependent protein kinase (PKA) | 1 |
| 16190753 | 10.1021/jm0503594 | Epidermal growth factor receptor | 1 |
| 16190753 | 10.1021/jm0503594 | Vascular endothelial growth factor receptor 2 | 1 |
| 16190753 | 10.1021/jm0503594 | Tyrosine-protein kinase SYK | 1 |
| 16190753 | 10.1021/jm0503594 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 16190753 | 10.1021/jm0503594 | Protein kinase C (PKC) | 1 |
| 16190753 | 10.1021/jm0503594 | MAP kinase-activated protein kinase 2 | 1 |
| 16190753 | 10.1021/jm0503594 | Hepatocyte growth factor receptor | 1 |
| 16190753 | 10.1021/jm0503594 | PBMC | 1 |
| 16190753 | 10.1021/jm0503594 | MAP kinase p38 | 1 |
| 16190753 | 10.1021/jm0503594 | Tyrosine-protein kinase Lck | 1 |
| 16190753 | 10.1021/jm0503594 | Tyrosine-protein kinase JAK3 | 1 |
| 16190753 | 10.1021/jm0503594 | Inhibitor of NF-kappa-B kinase (IKK) | 1 |
| 16190753 | 10.1021/jm0503594 | Insulin-like growth factor 1 receptor | 1 |
| 16190753 | 10.1021/jm0503594 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 16190753 | 10.1021/jm0503594 | Glycogen synthase kinase-3 | 1 |
| 16190753 | 10.1021/jm0503594 | Fibroblast growth factor receptor | 1 |
| 16190753 | 10.1021/jm0503594 | Mitogen-activated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine