Compound Detail
CHEMBL5275743
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Basic Information
| ChEMBL ID | CHEMBL5275743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCRLNCLJWJAWJR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.7
MW (Da)
4.87
ALogP
5
HBA
2
HBD
43.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.5 | 6.985 | 32.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 32.0 | nM | 7.5 | Antimalarial activity against CQ-sensitive Plasmodium falciparum 3D7 | 34655985 |
| Plasmodium falciparum | IC50 | = | 340.0 | nM | 6.47 | Antimalarial activity against CQ-resistant Plasmodium falciparum W2 | 34655985 |
| HepG2 | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human HepG2 cells | 34655985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34655985 | 10.1016/j.ejmech.2021.113865 | Plasmodium falciparum | 2 |
| 34655985 | 10.1016/j.ejmech.2021.113865 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine