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Compound Detail

CHEMBL3357087

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CN(C)c1ccc(C2=C(c3ccccc3F)COC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357087
Phase Preclinical
Structure Type MOL
InChI Key MXLKAVPCLLIMTM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
3.36
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.81
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 C18H16FNO2
MW 297.33
Aromatic Rings 2
Heavy Atoms 22
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