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Compound Detail

CHEMBL267811

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CC(=O)OC(C)n1c([S+]([O-])Cc2ccccn2)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267811
Phase Preclinical
Structure Type MOL
InChI Key DPXVKRHEEDSUKJ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
2.82
ALogP
6
HBA
0
HBD
80.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3S
MW 343.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.72

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
1848293 10.1021/jm00107a026 Oryctolagus cuniculus 2
1848293 10.1021/jm00107a026 Potassium-transporting ATPase 2

Data from ChEMBL 36 via Core Engine