Compound Detail
CHEMBL5175787
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Basic Information
| ChEMBL ID | CHEMBL5175787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUOWJSVOTWWBQA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
486.0
MW (Da)
6.74
ALogP
4
HBA
3
HBD
71.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
| Hemozoin CHEMBL613898 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19.0 | nM | 7.72 | Antimalarial activity against Plasmodium falciparum NF54 assessed as parasite gr... | 34710743 |
| L6 | IC50 | = | 1180.0 | nM | 5.93 | Cytotoxicity against rat L6 cells assessed as cell growth inhibition | 34710743 |
| Hemozoin | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of beta-hematin formation | 34710743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34710743 | 10.1016/j.ejmech.2021.113938 | Plasmodium falciparum | 1 |
| 34710743 | 10.1016/j.ejmech.2021.113938 | ADMET | 1 |
| 34710743 | 10.1016/j.ejmech.2021.113938 | L6 | 1 |
| 34710743 | 10.1016/j.ejmech.2021.113938 | Hemozoin | 1 |
Data from ChEMBL 36 via Core Engine