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Compound Detail

CHEMBL1765509

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O=C(NCCS(=O)(=O)F)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1765509
Phase Preclinical
Structure Type MOL
InChI Key BIWLPVXEFSYXMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.21
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.81
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 C10H12FNO4S
MW 261.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
21421320 10.1016/j.bmc.2011.02.014 Unchecked 3
21421320 10.1016/j.bmc.2011.02.014 Papain 1

Data from ChEMBL 36 via Core Engine