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Compound Detail

CHEMBL3357079

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O=C1OCC(c2cccc(F)c2)=C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357079
Phase Preclinical
Structure Type MOL
InChI Key HXWIXQANCWMXHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
3.29
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.77
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 C16H11FO2
MW 254.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.04

Literature References

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

Data from ChEMBL 36 via Core Engine