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Compound Detail

CHEMBL3617315

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Cc1cc(C(=O)O)c(N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617315
Phase Preclinical
Structure Type MOL
InChI Key IRVJCXLYRSTUQW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

157.2
MW (Da)
1.34
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.65
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 C6H7NO2S
MW 157.19
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.83

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
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