Compound Detail
CHEMBL1916349
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 | CHEMBL1916349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLOLCVBDRAYNPI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.2
MW (Da)
5.79
ALogP
2
HBA
0
HBD
39.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Blood CHEMBL613416 | IC50 | 6.15 | 6.15 | 715.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 14.0 | nM | 7.85 | Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-indu... | 21999461 |
| Mitogen-activated protein kinase 14 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis | 21999461 |
| Blood | IC50 | = | 715.0 | nM | 6.15 | Antiinflammatory activity in human whole blood assessed as inhibition of LPS-ind... | 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