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Compound Detail

CHEMBL230287

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CCO[C@H](COc1ccc(C(F)(F)F)cc1)C[S+]([O-])c1ccc(OCC(=O)O)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230287
Phase Preclinical
Structure Type MOL
InChI Key NIFQJGGFYUGBGD-WYXXSATOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
4.07
ALogP
5
HBA
1
HBD
88.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F3O6S
MW 460.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
17524639 10.1016/j.bmcl.2007.05.007 Peroxisome proliferator-activated receptor delta 2
17524639 10.1016/j.bmcl.2007.05.007 Peroxisome proliferator-activated receptor gamma 1
17524639 10.1016/j.bmcl.2007.05.007 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine