Compound Detail
CHEMBL324977
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Basic Information
| ChEMBL ID | CHEMBL324977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQFHPDFEZJZDIR-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
6.18
ALogP
5
HBA
1
HBD
42.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 7.82 | 6.47 | 15.0 | 5 |
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.52 | 5.455 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 15.0 | nM | 7.82 | Inhibitory activity against induction of IL-1-beta release in PBMCs | 12852754 |
| MAP kinase p38 | IC50 | = | 110.0 | nM | 6.96 | Inhibitory activity against TNF-alpha release in PBM cells | 12852754 |
| MAP kinase p38 | IC50 | = | 220.0 | nM | 6.66 | Inhibitory activity against mitogen-activated protein kinase p38 at 10 e-4 to 10... | 12852754 |
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Inhibition of p38 MAPK | 18578517 |
| MAP kinase p38 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of p38-related TNF-alpha release by whole blood cells at 10 e-4 to 10... | 12852754 |
| Blood | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of TNFalpha release in human whole blood | 18578517 |
| MAP kinase p38 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of p38-related IL1-beta release by whole blood cells at 10 e-4 to 10 ... | 12852754 |
| Blood | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of IL1-beta 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 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 1A2 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 2C9 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 2C19 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 2D6 | 1 |
| 12852754 | 10.1021/jm030766k | Cytochrome P450 3A4 | 1 |
| 18578517 | 10.1021/jm701529q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine