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Compound Detail

CHEMBL254743

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Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254743
Phase Preclinical
Structure Type MOL
InChI Key HAFHLUVWUDJABJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

609.6
MW (Da)
5.19
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21F6N3O5S2
MW 609.57
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
18060776 10.1016/j.bmcl.2007.11.053 Peroxisome proliferator-activated receptor alpha 2
18060776 10.1016/j.bmcl.2007.11.053 Peroxisome proliferator-activated receptor delta 2
18060776 10.1016/j.bmcl.2007.11.053 Peroxisome proliferator-activated receptor gamma 2

Data from ChEMBL 36 via Core Engine