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Compound Detail

CHEMBL5169731

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CCc1ccc(-c2nc3cc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5169731
Phase Preclinical
Structure Type MOL
InChI Key BZZJAVJGFQVBLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.9
MW (Da)
5.42
ALogP
6
HBA
1
HBD
115.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClN3O5S
MW 457.90
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.17

Literature References

PubMed DOI Target Context # Activities
36270630 10.1021/acs.jmedchem.2c01379 Peroxisome proliferator-activated receptor gamma 4

Data from ChEMBL 36 via Core Engine