Compound Detail
CHEMBL1784090
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Basic Information
| ChEMBL ID | CHEMBL1784090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMRDEFSDKMMUMP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.8
MW (Da)
5.27
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 880.0 | nM | 6.06 | Inhibition of JNK1 using biotinylated ATF2 and ATP substrates by HTRF assay | 19433357 |
| Mitogen-activated protein kinase 10 | IC50 | = | 1100.0 | nM | 5.96 | 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 |
| 19433357 | 10.1016/j.bmcl.2009.03.086 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine