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Compound Detail

CHEMBL505553

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O=C(O)CC1=CCc2ccc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505553
Phase Preclinical
Structure Type MOL
InChI Key ZRPIKTXRSSYELZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
2.24
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.78
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 C11H9FO2
MW 192.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
18665581 10.1021/jm700969c Peroxisome proliferator-activated receptor gamma 2
18665581 10.1021/jm700969c Prostaglandin G/H synthase 1 1
18665581 10.1021/jm700969c Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine