Compound Detail
CHEMBL1801390
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Basic Information
| ChEMBL ID | CHEMBL1801390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVVVSXKJECZPRY-CSKARUKUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.56
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 6.94 | 6.94 | 116.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 85.0 | nM | 7.07 | Inhibition of JNK2 | 20594847 |
| MAP kinase-activated protein kinase 2 | IC50 | = | 116.0 | nM | 6.94 | Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as s... | 20594847 |
| PBMC | IC50 | = | 202.0 | nM | 6.7 | Antiinflammatory activity against LPS-induced TNFalpha release in human PBMC pre... | 20594847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20594847 | 10.1016/j.bmcl.2010.04.024 | MAP kinase-activated protein kinase 2 | 2 |
| 20594847 | 10.1016/j.bmcl.2010.04.024 | PBMC | 1 |
| 20594847 | 10.1016/j.bmcl.2010.04.024 | Mitogen-activated protein kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine