Compound Detail
CHEMBL388530
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Basic Information
| ChEMBL ID | CHEMBL388530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUYKQYWJELIXQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.96
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-activated protein kinase 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of MK2 | 17480064 |
| U-937 | IC50 | = | 20000.0 | nM | 4.7 | 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