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Compound Detail

CHEMBL5774469

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COc1ccc(S(=O)(=O)c2ccccc2)c2[nH]c(=O)n(O)c(=O)c12

Basic Information

ChEMBL ID CHEMBL5774469
Phase Preclinical
Structure Type MOL
InChI Key XBELUOMHRIOAKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
0.77
ALogP
7
HBA
2
HBD
118.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O6S
MW 348.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
IC50 8.18 8.18 6.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 IC50 = 6.6 nM 8.18 Enzymatic Assay: Fluorogenic biochemical assays used recombinant full-length FEN... -

Data from ChEMBL 36 via Core Engine