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Compound Detail

CHEMBL1929087

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CCCCCC(O)C#CCOCc1ccc(SC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1929087
Phase Preclinical
Structure Type MOL
InChI Key WGLVBLVVAINXHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.87
ALogP
3
HBA
1
HBD
29.5
PSA (Ų)
0.45
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 C17H24O2S
MW 292.44
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
22118829 10.1016/j.ejmech.2011.11.003 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine