Compound Detail
CHEMBL1916346
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1916346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPUMCKSXTCQYOX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
4.62
ALogP
2
HBA
0
HBD
39.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.48 | 6.48 | 333.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 50.0 | nM | 7.3 | Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-indu... | 21999461 |
| Mitogen-activated protein kinase 14 | IC50 | = | 333.0 | nM | 6.48 | Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis | 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