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Compound Detail

CHEMBL1095480

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O=C1OC(=O)[C@@H]2CSC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095480
Phase Preclinical
Structure Type MOL
InChI Key QPUHIMKBVJKERM-ZXZARUISSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

158.2
MW (Da)
0.05
ALogP
4
HBA
0
HBD
43.4
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6O3S
MW 158.18
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.75

Literature References

PubMed DOI Target Context # Activities
20153915 10.1016/j.ejmech.2010.01.004 Unchecked 2
20153915 10.1016/j.ejmech.2010.01.004 No relevant target 2

Data from ChEMBL 36 via Core Engine