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Compound Detail

CHEMBL3628759

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CCCCOc1cc(C)c(-c2cccc(COc3ccc(OCC(=O)O)c(F)c3)c2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3628759
Phase Preclinical
Structure Type MOL
InChI Key JNVADPBKORJTJP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
6.33
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FO5
MW 452.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.71

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