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Compound Detail

CHEMBL5184567

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O=C(O)COc1ccc(COc2cccc(-c3ccc4cc(OCC5CC5)ccc4c3)c2)cc1F

Basic Information

ChEMBL ID CHEMBL5184567
Phase Preclinical
Structure Type MOL
InChI Key TZMVENYAPKTICH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
6.48
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25FO5
MW 472.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.85

Activity Summary

EC50 2 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 5.14 5.14 7200.0 1
Peroxisome proliferator-activated receptor alpha
CHEMBL239
EC50 5.02 5.02 9600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34954593 10.1016/j.ejmech.2021.114061 Peroxisome proliferator-activated receptor gamma 1
34954593 10.1016/j.ejmech.2021.114061 Free fatty acid receptor 1 1
34954593 10.1016/j.ejmech.2021.114061 Peroxisome proliferator-activated receptor alpha 1
34954593 10.1016/j.ejmech.2021.114061 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine