Compound Detail
CHEMBL242106
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Basic Information
| ChEMBL ID | CHEMBL242106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCIARVDJUYGSFQ-NTUHNPAUSA-N |
9
Targets
11
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
1.98
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 5.55 | 5.55 | 2830.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
| PAM CHEMBL614229 | IC50 | 4.19 | 4.125 | 65000.0 | 2 |
| GLIOMA#112 CHEMBL614158 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
| GLIOMA#108 CHEMBL614504 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 350.0 | nM | 6.46 | Inhibition of pieris rapae Phenoloxidase | 17258462 |
| Tyrosinase | IC50 | = | 2830.0 | nM | 5.55 | Inhibition of mushroom tyrosinase diphenolase activity assessed as decrease in d... | 28865277 |
| Jurkat | IC50 | = | 9000.0 | nM | 5.05 | Inhibitory activity against JURKAT cell line | 9554873 |
| Trypanosoma cruzi | IC50 | = | 19800.0 | nM | 4.7 | Anti-parasitic activity against epimastigote stage of Trypanosoma cruzi CL infec... | 30453246 |
| PAM | IC50 | = | 65000.0 | nM | 4.19 | Inhibitory activity against PAM-RAS cell line | 9554873 |
| GLIOMA#112 | IC50 | = | 75000.0 | nM | 4.12 | Inhibitory activity against GLIOMA#112 cell line | 9554873 |
| HeLa | IC50 | = | 78000.0 | nM | 4.11 | Inhibitory activity against HeLa cell line | 9554873 |
| PAM | IC50 | = | 88000.0 | nM | 4.06 | Inhibitory activity against PAM cell line | 9554873 |
| GLIOMA#108 | IC50 | = | 98000.0 | nM | 4.01 | Inhibitory activity against GLIOMA#108 cell line | 9554873 |
| NIH3T3 | IC50 | = | 97000.0 | nM | 4.01 | Inhibitory activity against 3T3 cell line | 9554873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554873 | 10.1021/jm970520d | PAM | 2 |
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 9554873 | 10.1021/jm970520d | GLIOMA#108 | 1 |
| 9554873 | 10.1021/jm970520d | GLIOMA#112 | 1 |
| 9554873 | 10.1021/jm970520d | Jurkat | 1 |
| 9554873 | 10.1021/jm970520d | HeLa | 1 |
| 9554873 | 10.1021/jm970520d | NIH3T3 | 1 |
| 28865277 | 10.1016/j.ejmech.2017.08.033 | Tyrosinase | 1 |
| 30453246 | 10.1016/j.ejmech.2018.11.013 | Trypanosoma cruzi | 1 |
| 30453246 | 10.1016/j.ejmech.2018.11.013 | Unchecked | 1 |
| 30453246 | 10.1016/j.ejmech.2018.11.013 | Cruzipain | 1 |
Data from ChEMBL 36 via Core Engine