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Compound Detail

CHEMBL4442156

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CCOc1cc(C)c(-c2cccc(COc3ccc(NCC(=O)O)c(F)c3)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442156
Phase Preclinical
Structure Type MOL
InChI Key LEGDSBNRMYFRJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
5.58
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26FNO4
MW 423.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
31279294 10.1016/j.ejmech.2019.06.087 Free fatty acid receptor 1 1
31279294 10.1016/j.ejmech.2019.06.087 No relevant target 1

Data from ChEMBL 36 via Core Engine