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Compound Detail

CHEMBL3272429

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CCOC(=O)c1cnc(S)nc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3272429
Phase Preclinical
Structure Type MOL
InChI Key FQFSHLBWRUOCPX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
0.65
ALogP
6
HBA
2
HBD
72.3
PSA (Ų)
0.42
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 C7H8N2O3S
MW 200.22
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.14

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
137981 10.1021/jm00212a010 Lacticaseibacillus casei 4
137981 10.1021/jm00212a010 Enterococcus faecium 2
137981 10.1021/jm00212a010 NON-PROTEIN TARGET 2
137981 10.1021/jm00212a010 Plasmodium berghei 2
137981 10.1021/jm00212a010 Escherichia coli 1

Data from ChEMBL 36 via Core Engine