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Compound Detail

CHEMBL3357109

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

Basic Information

ChEMBL ID CHEMBL3357109
Phase Preclinical
Structure Type MOL
InChI Key PTOIWYLDEVCKGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
4.31
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.61
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 C17H10F4O2
MW 322.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.32

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