Compound Detail
CHEMBL5177798
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Basic Information
| ChEMBL ID | CHEMBL5177798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCPVYRUVDIXYDF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
2.62
ALogP
6
HBA
4
HBD
112.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.4 | 6.06 | 400.0 | 2 |
| U-251 CHEMBL615022 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 400.0 | nM | 6.4 | Antimalarial activity against Chloroquine sensitive Plasmodium falciparum 3D7 as... | 37484560 |
| Plasmodium falciparum | IC50 | = | 1900.0 | nM | 5.72 | Antimalarial activity against Chloroquine resistant Plasmodium falciparum Dd2 as... | 37484560 |
| U-251 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human U251N cells incubated for 24 to 72 hrs by fluorescenc... | 35786935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35786935 | 10.1021/acs.jmedchem.1c01946 | U-251 | 2 |
| 37484560 | 10.1039/d3md00083d | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine