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Compound Detail

CHEMBL5937600

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O=c1[nH]c2c(F)cccc2c(=O)n1O

Basic Information

ChEMBL ID CHEMBL5937600
Phase Preclinical
Structure Type MOL
InChI Key CRXSHBAOZIMLDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

196.1
MW (Da)
0.07
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5FN2O3
MW 196.14
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
IC50 7.38 7.38 42.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 IC50 = 42.0 nM 7.38 Enzymatic Assay: Fluorogenic biochemical assays used recombinant full-length FEN... -

Data from ChEMBL 36 via Core Engine