Compound Detail
CHEMBL5559703
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Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2cnnc2-3)cc1-n1cnc(C2CC2)c1
Basic Information
| ChEMBL ID | CHEMBL5559703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNLHTJIFVHPLDK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
470.5
MW (Da)
4.59
ALogP
7
HBA
1
HBD
86.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 9.3 | 9.3 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of ASK1 (unknown origin) incubated for 120 mins | 37883895 |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 0.5 | nM | 9.3 | RBC Kinase Assay Protocol: Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgC... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37883895 | 10.1016/j.ejmech.2023.115889 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine