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Compound Detail

CHEMBL6064176

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Cc1cccc(S(=O)(=O)c2ccc(F)c3c(=O)n(O)c(=O)[nH]c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6064176
Phase Preclinical
Structure Type MOL
InChI Key VCCYSLDAYOQTBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
1.21
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11FN2O5S
MW 350.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.36

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
 IC50 7.75 7.75 17.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 IC50 = 17.8 nM 7.75 Enzymatic Assay: Fluorogenic biochemical assays used recombinant full-length FEN... -

Data from ChEMBL 36 via Core Engine