Compound Detail
CHEMBL572283
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Basic Information
| ChEMBL ID | CHEMBL572283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXYHQCXHGCREEU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.30
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 6.44 | 6.44 | 365.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 123.0 | nM | 6.91 | Inhibition of JNK1 by time resolved fluorescence assay | 19947601 |
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Inhibition of c-jun phosphorylation in rat INS-1 cells | 19947601 |
| Mitogen-activated protein kinase 10 | IC50 | = | 365.0 | nM | 6.44 | Inhibition of JNK3 by time resolved fluorescence assay | 19947601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19947601 | 10.1021/jm901351f | Unchecked | 2 |
| 19947601 | 10.1021/jm901351f | Mitogen-activated protein kinase 8 | 1 |
| 19947601 | 10.1021/jm901351f | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine