Compound Detail
CHEMBL5290580
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Basic Information
| ChEMBL ID | CHEMBL5290580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWNHFDYILAKOMX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.8
MW (Da)
5.88
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.1 | 6.82 | 79.0 | 2 |
| Hemozoin CHEMBL613898 | IC50 | 6.68 | 6.515 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 79.0 | nM | 7.1 | Antimalarial activity against CQ-sensitive Plasmodium falciparum 3D7 | 34655985 |
| Hemozoin | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Beta-hematin formation in Plasmodium falciparum 3D7 by spectrophot... | 37163950 |
| Plasmodium falciparum | IC50 | = | 290.0 | nM | 6.54 | Antimalarial activity against CQ-resistant Plasmodium falciparum K1 | 34655985 |
| Hemozoin | IC50 | = | 450.0 | nM | 6.35 | Inhibition of Beta-hematin formation in Plasmodium falciparum K1 by spectrophoto... | 37163950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34655985 | 10.1016/j.ejmech.2021.113865 | Plasmodium falciparum | 2 |
| 37163950 | 10.1016/j.ejmech.2023.115458 | Hemozoin | 2 |
Data from ChEMBL 36 via Core Engine