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Compound Detail

CHEMBL1080025

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Cc1cc(OCc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1080025
Phase Preclinical
Structure Type MOL
InChI Key YRNQWYXSILXVHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.83
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO4S
MW 431.51
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.04

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