Compound Detail
CHEMBL1084077
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Basic Information
| ChEMBL ID | CHEMBL1084077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFILWMATMYCABN-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
3.16
ALogP
2
HBA
3
HBD
56.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.98 | 6.94 | 104.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 104.0 | nM | 6.98 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 inf... | 20568778 |
| Plasmodium falciparum | IC50 | = | 104.0 | nM | 6.98 | Antimalarial activity against Plasmodium falciparum K1 | 34058709 |
| Plasmodium falciparum | IC50 | = | 126.0 | nM | 6.9 | Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 infected... | 20568778 |
| Plasmodium falciparum | IC50 | = | 126.0 | nM | 6.9 | Antimalarial activity against Plasmodium falciparum NF54 | 34058709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20568778 | 10.1021/jm100410f | Plasmodium falciparum | 2 |
| 34058709 | 10.1016/j.ejmech.2021.113536 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine