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Compound Detail

CHEMBL3357110

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O=C1OCC(c2ccc(OC(F)(F)F)cc2)=C1c1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357110
Phase Preclinical
Structure Type MOL
InChI Key AIQYTCNPUSPEIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
4.19
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10F4O3
MW 338.26
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.28

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