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Compound Detail

CHEMBL506718

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Oc1noc2cccc(F)c12

Basic Information

ChEMBL ID CHEMBL506718
Phase Preclinical
Structure Type MOL
InChI Key LAMXJMFSONZHOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

153.1
MW (Da)
1.67
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4FNO2
MW 153.11
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-amino-acid oxidase
CHEMBL6172
IC50 5.11 5.11 7820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D-amino-acid oxidase IC50 = 7820.0 nM 5.11 Inhibition of pig D-amino acid oxidase 18507366

Literature References

PubMed DOI Target Context # Activities
18507366 10.1021/jm800200u D-amino-acid oxidase 1

Data from ChEMBL 36 via Core Engine