Compound Detail
CHEMBL584457
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Basic Information
| ChEMBL ID | CHEMBL584457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKFGMEAULLCDPB-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.99
ALogP
5
HBA
0
HBD
47.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.49
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.3 | 7.29 | 50.0 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.49 | 6.285 | 323.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antimalarial activity against Plasmodium falciparum K1 | 21644541 |
| Plasmodium falciparum | IC50 | = | 52.0 | nM | 7.28 | Antimalarial activity against Plasmodium falciparum NF54 | 21644541 |
| Plasmodium falciparum | EC50 | = | 323.0 | nM | 6.49 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | EC50 | = | 832.0 | nM | 6.08 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21644541 | 10.1021/jm200227r | Plasmodium falciparum | 7 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
Data from ChEMBL 36 via Core Engine