Compound Detail
CHEMBL226321
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Basic Information
| ChEMBL ID | CHEMBL226321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFPLVKCDUSQJLT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.00
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of MK2 | 17480064 |
| U-937 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of TNFalpha production in U937 cells | 17480064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17480064 | 10.1021/jm0611004 | MAP kinase-activated protein kinase 2 | 1 |
| 17480064 | 10.1021/jm0611004 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine