Compound Detail
CHEMBL363643
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Basic Information
| ChEMBL ID | CHEMBL363643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXMWXOMNFWLHHQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
2.76
ALogP
8
HBA
3
HBD
129.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | Ki | 10.3 | 10.3 | 0.1 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | Ki | = | 0.05 | nM | 10.3 | Binding affinity for human p38 MAP kinase expressed in Escherichia coli using [g... | 16190753 |
| PBMC | IC50 | = | 17000.0 | nM | 4.77 | Concentration required to inhibit LPS-induced TNFalpha production in human perip... | 16190753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190753 | 10.1021/jm0503594 | MAP kinase p38 | 1 |
| 16190753 | 10.1021/jm0503594 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine