Compound Detail
CHEMBL83812
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CC1(OC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)CCC2CC1OO[C@]2(C)CS(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL83812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YILSWWSTQXMWPI-DONIRALISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
577.7
MW (Da)
4.88
ALogP
7
HBA
0
HBD
99.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 81.0 | nM | 7.09 | In vitro antimalarial activity against chloroquine-sensitive Plasmodium falcipar... | 9871509 |
| Unchecked | IC50 | = | 81.0 | nM | 7.09 | In vitro antimalarial activity against chloroquine-sensitive NF54 strain of Plas... | 12773055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871509 | 10.1016/s0960-894x(98)00141-3 | Plasmodium falciparum | 1 |
| 12773055 | 10.1021/jm020584a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine