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Compound Detail

CHEMBL4291763

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O=C(O)CS(=O)(=O)c1ccc(OCCCOc2cccc(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4291763
Phase Preclinical
Structure Type MOL
InChI Key DUSZVHNUEUIBPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.8
MW (Da)
3.05
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClO6S
MW 384.84
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
30296685 10.1016/j.ejmech.2018.09.071 Peroxisome proliferator-activated receptor delta 1
30296685 10.1016/j.ejmech.2018.09.071 Peroxisome proliferator-activated receptor gamma 1
30296685 10.1016/j.ejmech.2018.09.071 Peroxisome proliferator-activated receptor alpha 1
30296685 10.1016/j.ejmech.2018.09.071 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine