Compound Detail
CHEMBL109352
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Basic Information
| ChEMBL ID | CHEMBL109352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKQVSWUXZILLKH-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
4.01
ALogP
4
HBA
0
HBD
30.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Blood CHEMBL613416 | IC50 | 7.1 | 6.195 | 80.0 | 2 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.35 | 5.786 | 450.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Blood | IC50 | = | 80.0 | nM | 7.1 | Inhibition of IL1-beta release in human whole blood | 18578517 |
| MAP kinase p38 | IC50 | = | 450.0 | nM | 6.35 | Inhibitory activity against induction of IL-1-beta release in PBMCs | 12852754 |
| MAP kinase p38 | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of p38-related IL1-beta release by whole blood cells at 10 e-4 to 10 ... | 12852754 |
| MAP kinase p38 | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against mitogen-activated protein kinase p38 at 10 e-4 to 10... | 12852754 |
| MAP kinase p38 | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against TNF-alpha release in PBM cells | 12852754 |
| MAP kinase p38 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of p38-related TNF-alpha release by whole blood cells at 10 e-4 to 10... | 12852754 |
| Blood | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of TNFalpha release in human whole blood | 18578517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852754 | 10.1021/jm030766k | MAP kinase p38 | 5 |
| 18578517 | 10.1021/jm701529q | Blood | 2 |
Data from ChEMBL 36 via Core Engine