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Compound Detail

CHEMBL1079982

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COc1ccc(-c2nc(COc3ccccc3OCC(=O)O)sc2-c2ccc(C(F)(F)F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1079982
Phase Preclinical
Structure Type MOL
InChI Key JRKVGPRKUZSKJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

515.5
MW (Da)
6.55
ALogP
6
HBA
1
HBD
77.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20F3NO5S
MW 515.51
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor alpha 1
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor gamma 1
19928766 10.1021/jm9007399 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine