Compound Detail
CHEMBL4518197
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Basic Information
| ChEMBL ID | CHEMBL4518197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZMXXDXFHOVSEF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
28.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L6 CHEMBL614793 | IC50 | 5.16 | 5.16 | 6853.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.11 | 5.11 | 7786.0 | 1 |
| Plasma membrane ATPase 1 CHEMBL5291521 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L6 | IC50 | = | 6853.0 | nM | 5.16 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 27312008 |
| Plasmodium falciparum | IC50 | = | 7786.0 | nM | 5.11 | Antimalarial activity against Plasmodium falciparum NF54 infected in human eryth... | 27312008 |
| Plasma membrane ATPase 1 | IC50 | = | 18800.0 | nM | 4.73 | Inhibition of Saccharomyces cerevisiae H+ ATPase pma1 isoform assessed as ATP hy... | 28893470 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27312008 | 10.1021/acs.jmedchem.6b00591 | HSP90 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | L6 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | Plasmodium falciparum | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Plasma membrane ATPase 1 | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Saccharomyces cerevisiae | 1 |
| 28893470 | 10.1016/j.bmcl.2017.08.067 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine