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Compound Detail

CHEMBL2011539

PLUVIATILOL
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COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)ccc1O

Basic Information

ChEMBL ID CHEMBL2011539
Name PLUVIATILOL
Phase Preclinical
Structure Type MOL
InChI Key VBIRCRCPHNUJAS-FQZPYLGXSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.20
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O6
MW 356.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.07

Activity Summary

EC50 3 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.77 5.77 1700.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
EC50 4.31 4.31 48700.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 4.28 4.28 53100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22381047 10.1016/j.bmcl.2012.01.136 Unchecked 2
22381047 10.1016/j.bmcl.2012.01.136 Peroxisome proliferator-activated receptor delta 1
22381047 10.1016/j.bmcl.2012.01.136 HepG2 1
22381047 10.1016/j.bmcl.2012.01.136 Peroxisome proliferator-activated receptor alpha 1
22381047 10.1016/j.bmcl.2012.01.136 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine