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Compound Detail

CHEMBL1929088

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COc1ccc(C(O)C#CCOCc2ccc(SC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1929088
Phase Preclinical
Structure Type MOL
InChI Key IAEQRPCRWHHQLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.67
ALogP
4
HBA
1
HBD
38.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20O3S
MW 328.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.29

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