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Compound Detail

CHEMBL26579

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O=C(O)CCSCC(=O)COc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26579
Phase Preclinical
Structure Type MOL
InChI Key FNRZQORTJHPGMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.00
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16O4S
MW 304.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
11882004 10.1021/jm011050x Cytosolic phospholipase A2 beta 1
11882004 10.1021/jm011050x No relevant target 1

Data from ChEMBL 36 via Core Engine