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Compound Detail

CHEMBL3929976

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O=C(O)c1cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3929976
Phase Preclinical
Structure Type MOL
InChI Key NOHHVIVIACXLHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.2
MW (Da)
4.84
ALogP
3
HBA
1
HBD
59.7
PSA (Ų)
0.69
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 C16H8F4O4
MW 340.23
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
27815121 10.1016/j.bmcl.2016.10.054 Free fatty acid receptor 4 2
27815121 10.1016/j.bmcl.2016.10.054 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine