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Compound Detail

CHEMBL4100171

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O=C1C=Cc2c(c(-c3ccccc3)cn2S(=O)(=O)c2ccc(F)cc2)C1=O

Basic Information

ChEMBL ID CHEMBL4100171
Phase Preclinical
Structure Type MOL
InChI Key LWLWVYIFUNGOIE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.31
ALogP
5
HBA
0
HBD
73.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12FNO4S
MW 381.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.58

Activity Summary

Ki 1 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ELAV-like protein 1
CHEMBL1250379
Ki 7.32 7.32 48.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29313684 10.1021/acs.jmedchem.7b01176 ELAV-like protein 1 1

Data from ChEMBL 36 via Core Engine