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Compound Detail

CHEMBL4075456

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O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2nc[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075456
Phase Preclinical
Structure Type MOL
InChI Key CYHLTYJBLZQCBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
3.82
ALogP
5
HBA
2
HBD
105.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN3O4S
MW 417.87
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.12

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