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Compound Detail

CHEMBL380517

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

Basic Information

ChEMBL ID CHEMBL380517
Phase Preclinical
Structure Type MOL
InChI Key HVGNUABZBVEKLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
5.45
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F3N2O2S
MW 392.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.62

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