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Compound Detail

CHEMBL150717

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COc1cc(/C=C/c2cc(C(=O)O)[nH]n2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150717
Phase Preclinical
Structure Type MOL
InChI Key DVYCTZNHNGHEII-DUXPYHPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
1.99
ALogP
4
HBA
3
HBD
95.4
PSA (Ų)
0.78
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 C13H12N2O4
MW 260.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.06

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