Compound Detail
CHEMBL210462
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Basic Information
| ChEMBL ID | CHEMBL210462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLCYBHBQDYLQLC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
1.10
ALogP
8
HBA
3
HBD
139.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| c-Jun N-terminal kinase, JNK CHEMBL2096667 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 74.0 | nM | 7.13 | Inhibition of JNK1-mediated ATF2 phosphorylation | 16759099 |
| Mitogen-activated protein kinase 9 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of JNK2-mediated ATF2 phosphorylation | 16759099 |
| c-Jun N-terminal kinase, JNK | EC50 | = | 1600.0 | nM | 5.8 | Inhibition of cJun phosphorylation in HepG2 cell line | 16759099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759099 | 10.1021/jm060199b | Mitogen-activated protein kinase 8 | 1 |
| 16759099 | 10.1021/jm060199b | Mitogen-activated protein kinase 9 | 1 |
| 16759099 | 10.1021/jm060199b | c-Jun N-terminal kinase, JNK | 1 |
Data from ChEMBL 36 via Core Engine