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Compound Detail

CHEMBL3357086

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O=C1OCC(c2ccc(F)cc2)=C1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357086
Phase Preclinical
Structure Type MOL
InChI Key KEJNVJCIWNMMDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.00
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.85
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 C16H11FO3
MW 270.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
25408841 10.1021/ml500344j Prostaglandin G/H synthase 1 1
25408841 10.1021/ml500344j Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine