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Compound Detail

CHEMBL347053

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Cc1cc(/C=C/c2ccccc2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347053
Phase Preclinical
Structure Type MOL
InChI Key HPEIOZLJNFUVJJ-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

185.2
MW (Da)
3.15
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO
MW 185.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
1847426 10.1021/jm00106a006 Cyclooxygenase 1
1847426 10.1021/jm00106a006 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine