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Compound Detail

CHEMBL5822573

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O=c1[nH]c2nc(Cc3ccccc3)ccc2c(=O)n1O

Basic Information

ChEMBL ID CHEMBL5822573
Phase Preclinical
Structure Type MOL
InChI Key GDEKEMAAYBVLBM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
0.91
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O3
MW 269.26
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.16

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Flap endonuclease 1
CHEMBL5027
IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Flap endonuclease 1 IC50 = 11.0 nM 7.96 Enzymatic Assay: Fluorogenic biochemical assays used recombinant full-length FEN... -

Data from ChEMBL 36 via Core Engine