Compound Detail
CHEMBL5286831
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Basic Information
| ChEMBL ID | CHEMBL5286831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTHMXVGWHFPOTC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.7
MW (Da)
2.49
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.51 | 7.495 | 31.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 31.0 | nM | 7.51 | Antiplasmodial activity against Plasmodium falciparum DD2 assessed as growth inh... | 33823394 |
| Plasmodium falciparum | IC50 | = | 33.0 | nM | 7.48 | Antiplasmodial activity against Plasmodium falciparum NF54 assessed as growth in... | 33823394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33823394 | 10.1016/j.ejmech.2021.113400 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine