Compound Detail
CHEMBL5173813
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Basic Information
| ChEMBL ID | CHEMBL5173813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZKUPGRFEZHAPU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
5.96
ALogP
6
HBA
1
HBD
61.4
PSA (Ų)
0.47
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
EC50 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Glycogen synthase kinase 3 CHEMBL1781857 | IC50 | 6.76 | 6.76 | 172.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.26 | 6.26 | 552.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Plasmodium falciparum PK6 measured after 2 hrs by luciferin-based ... | 36166733 |
| Glycogen synthase kinase 3 | IC50 | = | 172.0 | nM | 6.76 | Inhibition of Plasmodium falciparum GSK3 measured after 2 hrs by luciferin-based... | 36166733 |
| Plasmodium falciparum | EC50 | = | 552.0 | nM | 6.26 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human eryt... | 36166733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36166733 | 10.1021/acs.jmedchem.2c00996 | HepG2 | 2 |
| 36166733 | 10.1021/acs.jmedchem.2c00996 | Glycogen synthase kinase 3 | 1 |
| 36166733 | 10.1021/acs.jmedchem.2c00996 | Unchecked | 1 |
| 36166733 | 10.1021/acs.jmedchem.2c00996 | Plasmodium falciparum | 1 |
| 36166733 | 10.1021/acs.jmedchem.2c00996 | No relevant target | 1 |
| 36166733 | 10.1021/acs.jmedchem.2c00996 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine