Compound Detail
CHEMBL113060
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Basic Information
| ChEMBL ID | CHEMBL113060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVMWZPRCCDVEDY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
4.65
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 6.46 | 6.06 | 350.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 350.0 | nM | 6.46 | Inhibitory activity against induction of IL-1-beta release in PBMCs | 12852754 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1040.0 | nM | 5.98 | Inhibition of p38alpha | 18578517 |
| MAP kinase p38 | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against TNF-alpha release in PBM cells | 12852754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852754 | 10.1021/jm030766k | MAP kinase p38 | 3 |
| 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 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine