Compound Detail
CHEMBL1644631
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1644631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDMFJZXLYDZRPT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
4.03
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 590.0 | nM | 6.23 | Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay | 21112785 |
| Mitogen-activated protein kinase 9 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay | 21112785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 9 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 8 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 1 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 14 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine