Compound Detail
CHEMBL1783597
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Basic Information
| ChEMBL ID | CHEMBL1783597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXIMLBXMMQOIHB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.14
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of JNK1 using biotinylated ATF2 and ATP substrates by HTRF assay | 19433357 |
| Mitogen-activated protein kinase 10 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of JNK3 using biotinylated ATF2 and ATP substrates by HTRF assay | 19433357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19433357 | 10.1016/j.bmcl.2009.03.086 | Mitogen-activated protein kinase 10 | 1 |
| 19433357 | 10.1016/j.bmcl.2009.03.086 | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine