Compound Detail
CHEMBL1288160
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Basic Information
| ChEMBL ID | CHEMBL1288160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGGSTZPBQKGLOJ-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.00
ALogP
6
HBA
1
HBD
67.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.32 | 7.32 | 48.0 | 2 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.11 | 7.11 | 77.0 | 2 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.33 | 5.9867 | 470.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay | 21071223 |
| Mitogen-activated protein kinase 8 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of JNK1 (unknown origin) | 35200035 |
| Mitogen-activated protein kinase 10 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay | 21071223 |
| Mitogen-activated protein kinase 10 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of JNK3 (unknown origin) | 35200035 |
| Mitogen-activated protein kinase 9 | IC50 | = | 470.0 | nM | 6.33 | Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay | 21071223 |
| Mitogen-activated protein kinase 9 | IC50 | = | 470.0 | nM | 6.33 | Inhibition of JNK2 (unknown origin) | 35200035 |
| Mitogen-activated protein kinase 9 | IC50 | = | 5050.0 | nM | 5.3 | HTRF Assay: (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared usi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Mitogen-activated protein kinase 10 | 2 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Mitogen-activated protein kinase 1 | 2 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 35200035 | 10.1021/acs.jmedchem.1c01947 | Mitogen-activated protein kinase 9 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Serine/threonine-protein kinase PAK 4 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Serine/threonine-protein kinase MARK2 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Tyrosine-protein kinase Lck | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Tyrosine-protein kinase JAK1 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Insulin receptor | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Glycogen synthase kinase-3 beta | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Mitogen-activated protein kinase 8 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | RAC-alpha serine/threonine-protein kinase | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine