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Compound Detail

CHEMBL260683

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O=S(=O)(CC(F)(F)F)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260683
Phase Preclinical
Structure Type MOL
InChI Key MNQDMAQPHKMRPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
2.73
ALogP
6
HBA
0
HBD
74.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24F3NO6S
MW 427.44
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.84 7.84 14.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 14.35 nM 7.84 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