Compound Detail
CHEMBL1916531
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Basic Information
| ChEMBL ID | CHEMBL1916531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMFDBAZCTBIKKC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.8
MW (Da)
6.58
ALogP
4
HBA
0
HBD
58.3
PSA (Ų)
0.17
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis | 21999461 |
| THP-1 | IC50 | = | 15.0 | nM | 7.82 | Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-indu... | 21999461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21999461 | 10.1021/jm200975u | Mitogen-activated protein kinase 14 | 1 |
| 21999461 | 10.1021/jm200975u | THP-1 | 1 |
| 21999461 | 10.1021/jm200975u | Blood | 1 |
Data from ChEMBL 36 via Core Engine