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Compound Detail

CHEMBL1494499

SAVIRIN
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CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(O)c2ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL1494499
Name SAVIRIN
Phase Preclinical
Structure Type MOL
InChI Key VXRPWYOOYFIHSS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.94
ALogP
7
HBA
1
HBD
97.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O3S
MW 368.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus IC50 = 250.0 nM 6.6 PUBCHEM_BIOASSAY: Inhibitors of Bacterial Quorum Sensing Structure Activity Rela... -

Literature References

PubMed DOI Target Context # Activities
23294220 10.1021/jm3014635 Unchecked 1

Data from ChEMBL 36 via Core Engine