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Compound Detail

CHEMBL5823760

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O=c1[nH]c2c(S(=O)(=O)c3cc(F)cc(F)c3)ccc(Cl)c2c(=O)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5823760
Phase Preclinical
Structure Type MOL
InChI Key GQTRPQRQXSVOFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.7
MW (Da)
1.69
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7ClF2N2O5S
MW 388.74
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
 IC50 8.17 8.17 6.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 IC50 = 6.7 nM 8.17 Enzymatic Assay: Fluorogenic biochemical assays used recombinant full-length FEN... -

Data from ChEMBL 36 via Core Engine