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Compound Detail

CHEMBL208130

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Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc(CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL208130
Phase Preclinical
Structure Type MOL
InChI Key CUZPECBDWZNVJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
5.38
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17F3N2O2S
MW 406.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
16439116 10.1016/j.bmcl.2006.01.007 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine