Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL254540

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OCc2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254540
Phase Preclinical
Structure Type MOL
InChI Key NBFRRRJCTCLCOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
4.16
ALogP
7
HBA
2
HBD
105.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F3N6O2S
MW 474.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.11

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