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Compound Detail

CHEMBL4866568

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O=C(O)CCc1ccc2[nH]c(-c3cccc(Cl)c3F)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866568
Phase Preclinical
Structure Type MOL
InChI Key XFTFNEJKQLOOCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.8
MW (Da)
4.64
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClFNO2
MW 317.75
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
33769827 10.1021/acs.jmedchem.1c00031 Free fatty acid receptor 1 2
33769827 10.1021/acs.jmedchem.1c00031 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine