Compound Detail
CHEMBL261066
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O=C(CCc1ccc(S(=O)(=O)N2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1)NCCCCNc1ccc([N+](=O)[O-])c2nonc12
Basic Information
| ChEMBL ID | CHEMBL261066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFWICJAVKLVLQH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
726.8
MW (Da)
4.62
ALogP
13
HBA
2
HBD
197.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 16.0 | nM | 7.8 | Antimalarial activity against Plasmodium falciparum 3D7 | 18341274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18341274 | 10.1021/jm701435h | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine