Compound Detail
CHEMBL3234091
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Basic Information
| ChEMBL ID | CHEMBL3234091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSWJACCYXBWHAD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.85
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.97 | 5.93 | 1072.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1072.0 | nM | 5.97 | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 | 24568587 |
| Plasmodium falciparum | IC50 | = | 1273.0 | nM | 5.89 | Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 | 24568587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 24568587 | 10.1021/jm500098s | Plasmodium falciparum | 2 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 24568587 | 10.1021/jm500098s | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine