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Compound Detail

CHEMBL50725

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Cc1ccc(C(=O)O)c(O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50725
Phase Preclinical
Structure Type MOL
InChI Key XRIHTJYXIHOBDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

153.1
MW (Da)
0.79
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H7NO3
MW 153.14
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
4068003 10.1021/jm00150a008 Rattus norvegicus 5
20598892 10.1016/j.bmc.2010.05.077 Unchecked 1
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