Compound Detail
CHEMBL439323
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Basic Information
| ChEMBL ID | CHEMBL439323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGKKDOKVLSCRFL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
2.44
ALogP
6
HBA
2
HBD
111.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| c-Jun N-terminal kinase, JNK CHEMBL2096667 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | IC50 | = | 68.0 | nM | 7.17 | Inhibition of JNK2 | 16854050 |
| Mitogen-activated protein kinase 8 | IC50 | = | 75.0 | nM | 7.12 | Inhibition of JNK1 | 16854050 |
| c-Jun N-terminal kinase, JNK | IC50 | = | 410.0 | nM | 6.39 | Inhibition of cJun phosphorylation in HepG2 cells | 16854050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854050 | 10.1021/jm060465l | c-Jun N-terminal kinase, JNK | 1 |
| 16854050 | 10.1021/jm060465l | Mitogen-activated protein kinase 9 | 1 |
| 16854050 | 10.1021/jm060465l | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine