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Compound Detail

CHEMBL5744504

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COCCCc1cc(O)c(=O)[nH]n1

Basic Information

ChEMBL ID CHEMBL5744504
Phase Preclinical
Structure Type MOL
InChI Key WOILJYOYVMMALE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
0.05
ALogP
4
HBA
2
HBD
75.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H12N2O3
MW 184.19
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 8.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-amino-acid oxidase
CHEMBL5485
IC50 8.09 8.09 8.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D-amino-acid oxidase IC50 = 8.1 nM 8.09 DAAO Inhibitory Activity Assay: The DAAO inhibitory activity was measured by ass... -

Data from ChEMBL 36 via Core Engine