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Compound Detail

CHEMBL4171495

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FC(F)(F)c1cccc2c1-c1ccccc1[I+]2.O=S(=O)([O-])C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171495
Phase Preclinical
Structure Type MOL
InChI Key QYCDOQIKDDEOJD-UHFFFAOYSA-M
Parent Compound CHEMBL4302329
Active Moiety CHEMBL4302329
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

347.1
MW (Da)
0.81
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7F6IO3S
MW 496.17
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.59

Activity Summary

IC50 2 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.89 6.87 130.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 130.0 nM 6.89 Growth inhibition of CQ-sensitive GFP-fused Plasmodium falciparum D10 after 90 h... 29269132
Plasmodium falciparum IC50 = 140.0 nM 6.85 Growth inhibition of drug-resistant GFP-fused Plasmodium falciparum D10 after 90... 29269132

Literature References

PubMed DOI Target Context # Activities
29269132 10.1016/j.ejmech.2017.10.010 Unchecked 6
29269132 10.1016/j.ejmech.2017.10.010 Plasmodium falciparum 2
29269132 10.1016/j.ejmech.2017.10.010 HepG2 2
29269132 10.1016/j.ejmech.2017.10.010 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine