Compound Detail
CHEMBL41653
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Basic Information
| ChEMBL ID | CHEMBL41653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVXHHBZKFYKYEL-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
4.67
ALogP
3
HBA
2
HBD
59.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.28 | 7.28 | 53.0 | 3 |
| SW1353 CHEMBL614944 | IC50 | 6.09 | 6.09 | 820.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 53.0 | nM | 7.28 | Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 express... | 10999467 |
| Mitogen-activated protein kinase 14 | IC50 | = | 53.0 | nM | 7.28 | Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 | 12039561 |
| Mitogen-activated protein kinase 14 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of mitogen-activated protein kinase p38 alpha 2 | 10999468 |
| SW1353 | IC50 | = | 820.0 | nM | 6.09 | Compound was evaluated for its ability to inhibit IL-6 production in SW1353 cell... | 10999467 |
| SW1353 | IC50 | = | 820.0 | nM | 6.09 | Inhibition of TNF and IL-1 induced IL-6 production in human chondro-sarcoma SW 1... | 10999468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10999467 | 10.1016/s0960-894x(00)00270-5 | Mitogen-activated protein kinase 14 | 1 |
| 10999467 | 10.1016/s0960-894x(00)00270-5 | SW1353 | 1 |
| 12039561 | 10.1016/s0960-894x(02)00238-x | Mitogen-activated protein kinase 14 | 1 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | Mitogen-activated protein kinase 14 | 1 |
| 10999468 | 10.1016/s0960-894x(00)00272-9 | SW1353 | 1 |
Data from ChEMBL 36 via Core Engine