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Compound Detail

CHEMBL5850135

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O=c1[nH]c2cccc(Br)c2c(=O)n1O

Basic Information

ChEMBL ID CHEMBL5850135
Phase Preclinical
Structure Type MOL
InChI Key HGERVTVAESAEIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.0
MW (Da)
0.69
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5BrN2O3
MW 257.04
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.19

Activity Summary

IC50 1 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
IC50 7.71 7.71 19.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 IC50 = 19.6 nM 7.71 Enzymatic Assay: Fluorogenic biochemical assays used recombinant full-length FEN... -

Data from ChEMBL 36 via Core Engine