Compound Detail
CHEMBL4853326
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Basic Information
| ChEMBL ID | CHEMBL4853326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYFREKXWJOQZSG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
4.85
ALogP
6
HBA
2
HBD
68.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of JNK3alpha1 (unknown origin) using biotinylated FL-ATF-2 as substra... | 34676036 |
| Mitogen-activated protein kinase 14 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of p38 alpha (unknown origin) using biotinylated FL-ATF-2 as substrat... | 34676036 |
| Mitogen-activated protein kinase 8 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate mea... | 34676036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Unchecked | 2 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 10 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 8 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 9 | 1 |
| 34676036 | 10.1021/acsmedchemlett.1c00334 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine