Compound Detail
CHEMBL205402
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Basic Information
| ChEMBL ID | CHEMBL205402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCQCMNUQTMIKHU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.24
ALogP
6
HBA
2
HBD
92.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.48 | 7.48 | 33.0 | 2 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.58 | 6.58 | 261.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of JNK3 | 16337120 |
| Mitogen-activated protein kinase 10 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of JNK3 | 17451961 |
| Mitogen-activated protein kinase 8 | IC50 | = | 261.0 | nM | 6.58 | Inhibition of JNK1 | 16337120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16337120 | 10.1016/j.bmcl.2005.11.039 | Mitogen-activated protein kinase 10 | 1 |
| 16337120 | 10.1016/j.bmcl.2005.11.039 | Mitogen-activated protein kinase 8 | 1 |
| 16337120 | 10.1016/j.bmcl.2005.11.039 | No relevant target | 1 |
| 17451961 | 10.1016/j.bmc.2007.03.062 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine