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Compound Detail

CHEMBL144178

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CCCCCCCCC#CCSCc1cccc(CCC(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144178
Phase Preclinical
Structure Type MOL
InChI Key NYQWEAKIXFWIFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
5.69
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30O2S
MW 346.54
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
8960545 10.1021/jm9606047 Arachidonate 12-lipoxygenase 1

Data from ChEMBL 36 via Core Engine