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Compound Detail

CHEMBL3264947

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CC12COS(=O)(=O)CC1=C(c1ccc(F)c(F)c1)C(=O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3264947
Phase Preclinical
Structure Type MOL
InChI Key JJKHMTOOMJIAFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
1.39
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 C13H10F2O5S
MW 316.28
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.11

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