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Compound Detail

CHEMBL2338801

LUVADAXISTAT
🧪 Phase II
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🧪 Phase II
O=c1[nH]nc(CCc2ccc(C(F)(F)F)cc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2338801
Name LUVADAXISTAT
Phase Phase II
Structure Type MOL
InChI Key QBQMUMMSYHUDFM-UHFFFAOYSA-N

Known Names

Luvadaxistat Tak-831 TAK831
3
Targets
11
Activities
1
Assay Types
0
PK Parameters
1
Publications
3
Known Names
2
Indications

Molecular Properties

284.2
MW (Da)
2.28
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -stat

Extended Properties

Molecular Formula C13H11F3N2O2
MW 284.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.85

Indications

Friedreich Ataxia Schizophrenia

Activity Summary

IC50 11 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-amino-acid oxidase
CHEMBL5756
 IC50 8.3 8.3 5.0 1
D-amino-acid oxidase
CHEMBL2331068
 IC50 8.23 8.23 5.9 1
D-amino-acid oxidase
CHEMBL5485
 IC50 7.92 7.7533 12.0 9

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D-amino-acid oxidase IC50 = 5.0 nM 8.3 Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins b... 23566269
D-amino-acid oxidase IC50 = 5.9 nM 8.23 Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins... 23566269
D-amino-acid oxidase IC50 = 12.0 nM 7.92 Inhibition of human recombinant DAAO after 30 mins by plate reader analysis 23566269
D-amino-acid oxidase IC50 = 12.0 nM 7.92 Inhibition Assay: The DAAO inhibitory activity was measured by assaying the amou... -
D-amino-acid oxidase IC50 = 12.0 nM 7.92 DAAO Inhibitory Activity Assay: The DAAO inhibitory activity was measured by ass... -
D-amino-acid oxidase IC50 = 19.0 nM 7.72 In Vitro DAAO Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmac... -
D-amino-acid oxidase IC50 = 19.0 nM 7.72 Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmaceutical Compan... -
D-amino-acid oxidase IC50 = 19.0 nM 7.72 In Vitro DAAO Enzyme Assay: The functional activity of compounds inhibiting the ... -
D-amino-acid oxidase IC50 = 19.0 nM 7.72 In Vitro Enzyme Assay: Human DAAO enzyme was supplied by the Takeda Pharmaceutic... -
D-amino-acid oxidase IC50 = 27.0 nM 7.57 Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins... 23566269
D-amino-acid oxidase IC50 = 27.0 nM 7.57 Inhibition Assay: This test was performed by partially modifying the method of P... -

Literature References

PubMed DOI Target Context # Activities
23566269 10.1021/jm400095b D-amino-acid oxidase 4

Data from ChEMBL 36 via Core Engine