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Compound Detail

CHEMBL5199525

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O=C1C=C(c2ccc(F)cc2)S(=O)(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5199525
Phase Preclinical
Structure Type MOL
InChI Key VBTQIGUSJWCWRT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.84
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9FO3S
MW 288.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.66

Activity Summary

EC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania panamensis
CHEMBL612882
 EC50 5.17 5.17 6720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania panamensis EC50 = 6720.0 nM 5.17 Antileishmanial activity against Leishmania panamensis MHOM/CO/87/UA140-EGFP int... 34171661

Literature References

PubMed DOI Target Context # Activities
34171661 10.1016/j.ejmech.2021.113606 Leishmania panamensis 1
34171661 10.1016/j.ejmech.2021.113606 U-937 1

Data from ChEMBL 36 via Core Engine