Compound Detail
CHEMBL546170
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Basic Information
| ChEMBL ID | CHEMBL546170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSJSWLQVPVZOKR-UHFFFAOYSA-N |
8
Targets
17
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.57
ALogP
7
HBA
1
HBD
59.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 11 meas. best 6.9
IC50 6 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.9 | 5.2171 | 126.0 | 7 |
| Unchecked CHEMBL612545 | IC50 | 5.86 | 5.86 | 1396.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 5.42 | 5.42 | 3822.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.22 | 5.22 | 6040.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.1 | 4.9767 | 8015.0 | 3 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.5 | 4.5 | 31700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine