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Compound Detail

CHEMBL5183783

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O=C(O)COc1ccc(OCc2cccc(-c3ccc(OCC4CC4)cc3)c2)cc1F

Basic Information

ChEMBL ID CHEMBL5183783
Phase Preclinical
Structure Type MOL
InChI Key FOJUJKWUPWKPPX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
5.32
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23FO5
MW 422.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.93

Activity Summary

EC50 2 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 6.27 6.27 540.0 1
Free fatty acid receptor 1
CHEMBL4422
EC50 6.27 6.27 540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35051813 10.1016/j.bmc.2022.116615 Peroxisome proliferator-activated receptor gamma 1
35051813 10.1016/j.bmc.2022.116615 Free fatty acid receptor 1 1
35051813 10.1016/j.bmc.2022.116615 Peroxisome proliferator-activated receptor alpha 1
35051813 10.1016/j.bmc.2022.116615 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine