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Compound Detail

CHEMBL254742

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Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(-c2c(O)c(=O)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254742
Phase Preclinical
Structure Type MOL
InChI Key XICWOOPHRLYMIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

472.4
MW (Da)
4.04
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15F3N2O4S
MW 472.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.35

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