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Compound Detail

CHEMBL4868676

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O=C(O)CCc1ccc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4868676
Phase Preclinical
Structure Type MOL
InChI Key BJVOTKFIAYOZGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
5.52
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.64
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClF3NO2
MW 367.75
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.64

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