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Compound Detail

CHEMBL446761

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O=C(O)c1cncc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446761
Phase Preclinical
Structure Type MOL
InChI Key MPFLRYZEEAQMLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

167.1
MW (Da)
0.48
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H5NO4
MW 167.12
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
18942826 10.1021/jm800936s Unchecked 2
26322531 10.1021/acs.jmedchem.5b00871 D-amino-acid oxidase 1
26322531 10.1021/acs.jmedchem.5b00871 D-aspartate oxidase 1

Data from ChEMBL 36 via Core Engine