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Compound Detail

CHEMBL3629044

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Cc1cc(OCCOCc2ccccc2)cc(C)c1-c1cccc(COc2ccc(OCC(=O)O)c(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3629044
Phase Preclinical
Structure Type MOL
InChI Key FGDOHYWZKBVCRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

530.6
MW (Da)
6.75
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31FO6
MW 530.59
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.79

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