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Compound Detail

CHEMBL4783561

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Cc1ccc(S(=O)(=O)/N=C/c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4783561
Phase Preclinical
Structure Type MOL
InChI Key WEXIEXWVOUQDHD-MHWRWJLKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.94
ALogP
2
HBA
0
HBD
46.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12FNO2S
MW 277.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.47

Activity Summary

EC50 1 meas. best 4.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C6
CHEMBL614657
 EC50 4.31 4.31 48900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C6 EC50 = 48900.0 nM 4.31 Antiproliferative activity against rat C6 cells assessed as cell growth inhibiti... 31978780

Literature References

PubMed DOI Target Context # Activities
31978780 10.1016/j.ejmech.2019.111981 Unchecked 3
31978780 10.1016/j.ejmech.2019.111981 U-251 1
31978780 10.1016/j.ejmech.2019.111981 C6 1
31978780 10.1016/j.ejmech.2019.111981 Astrocyte 1

Data from ChEMBL 36 via Core Engine