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Compound Detail

CHEMBL3264948

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CC12COS(=O)(=O)CC1=C(c1ccccc1F)C(=O)O2

Basic Information

ChEMBL ID CHEMBL3264948
Phase Preclinical
Structure Type MOL
InChI Key LUZXISZTJGJGAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
1.25
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.58
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 C13H11FO5S
MW 298.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.13

Activity Summary

EC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bovine viral diarrhea virus 1
CHEMBL612571
EC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24745970 10.1016/j.bmcl.2014.03.012 Bovine viral diarrhea virus 1 1
24745970 10.1016/j.bmcl.2014.03.012 ADMET 1

Data from ChEMBL 36 via Core Engine