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Compound Detail

CHEMBL5920713

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

Basic Information

ChEMBL ID CHEMBL5920713
Phase Preclinical
Structure Type MOL
InChI Key ILXOAEGZYNNNBF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
3.91
ALogP
4
HBA
2
HBD
87.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClN3O3
MW 393.83
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-amino-acid oxidase
CHEMBL5485
IC50 6.52 6.52 300.0 1
D-amino-acid oxidase
CHEMBL6172
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine