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Compound Detail

CHEMBL3617317

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NC(=O)c1csc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617317
Phase Preclinical
Structure Type MOL
InChI Key VKHSGKLHGCKCMQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

171.2
MW (Da)
0.55
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.68
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 C6H5NO3S
MW 171.18
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -1.05

Activity Summary

IC50 1 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