Compound Detail
CHEMBL609039
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Basic Information
| ChEMBL ID | CHEMBL609039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEQSYHIYQPZYMF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
2.88
ALogP
9
HBA
1
HBD
93.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.54
Kd 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | Kd | 5.14 | 5.085 | 7200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 290.0 | nM | 6.54 | Displacement of biotin-labeled pep-JIP1from JNK2 by DELFIA assay | 20045647 |
| Mitogen-activated protein kinase 8 | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of JNK1 by TR-FRET assay | 20045647 |
| Mitogen-activated protein kinase 9 | Kd | = | 7200.0 | nM | 5.14 | Inhibition of JNK2 C163S mutant by isothermal calorimetry | 20045647 |
| Mitogen-activated protein kinase 9 | Kd | = | 9400.0 | nM | 5.03 | Inhibition of wild-type JNK2 by isothermal calorimetry | 20045647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20045647 | 10.1016/j.bmc.2009.12.013 | Mitogen-activated protein kinase 9 | 3 |
| 20045647 | 10.1016/j.bmc.2009.12.013 | Plasma | 2 |
| 20045647 | 10.1016/j.bmc.2009.12.013 | ADMET | 1 |
| 20045647 | 10.1016/j.bmc.2009.12.013 | Mitogen-activated protein kinase 8 | 1 |
| 20045647 | 10.1016/j.bmc.2009.12.013 | Mitogen-activated protein kinase 14 | 1 |
| 20045647 | 10.1016/j.bmc.2009.12.013 | RAC-alpha serine/threonine-protein kinase | 1 |
| 20045647 | 10.1016/j.bmc.2009.12.013 | Furin | 1 |
| 20045647 | 10.1016/j.bmc.2009.12.013 | Lethal factor | 1 |
Data from ChEMBL 36 via Core Engine