Compound Detail
CHEMBL3218237
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O=S1(=O)CC[N+]([O-])(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1
Basic Information
| ChEMBL ID | CHEMBL3218237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZVXYHILWGHLLZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
2.43
ALogP
7
HBA
0
HBD
94.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.6 | 8.515 | 2.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.5 | nM | 8.6 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 i... | - |
| Plasmodium falciparum | IC50 | = | 3.7 | nM | 8.43 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in human eryt... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00102G | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine