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Compound Detail

CHEMBL3629045

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COCCCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3629045
Phase Preclinical
Structure Type MOL
InChI Key ISVLQYAJPRHKLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
5.57
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FO6
MW 468.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
26482570 10.1016/j.bmc.2015.10.011 Free fatty acid receptor 1 2
26482570 10.1016/j.bmc.2015.10.011 No relevant target 1

Data from ChEMBL 36 via Core Engine