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Compound Detail

CHEMBL26094

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CCCCCCCCCCOc1ccc(OCC(=O)CSCCC(=O)OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26094
Phase Preclinical
Structure Type MOL
InChI Key ILLXRGZNLDKUQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.45
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H36O5S
MW 424.60
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.37

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