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Compound Detail

CHEMBL1929086

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OC(C#CCOCc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1929086
Phase Preclinical
Structure Type MOL
InChI Key COFBXHUMGROACV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.94
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16O2
MW 252.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.12

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