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Compound Detail

CHEMBL5848714

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O=C(Oc1cc2c(Cl)cccc2[nH]c1=O)c1cc(CCc2ccccc2)c[nH]1

Basic Information

ChEMBL ID CHEMBL5848714
Phase Preclinical
Structure Type MOL
InChI Key HGXQHHQRKVUEAA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.8
MW (Da)
4.51
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN2O3
MW 392.84
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.36

Activity Summary

IC50 2 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-amino-acid oxidase
CHEMBL5485
IC50 6.26 6.26 550.0 1
D-amino-acid oxidase
CHEMBL6172
IC50 5.26 5.26 5500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine