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Compound Detail

CHEMBL4065772

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O=C(O)CCCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4065772
Phase Preclinical
Structure Type MOL
InChI Key HFOFVSOVDSIJPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
4.33
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClNO4S
MW 391.88
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor alpha 2
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor delta 2
29446942 10.1021/acs.jmedchem.7b01285 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine