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Compound Detail

CHEMBL209582

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O=S(=O)(c1ccc2nc(O)c(-c3ccccc3)c(O)c2c1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209582
Phase Preclinical
Structure Type MOL
InChI Key FCAGMAAMTPDOJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.3
MW (Da)
3.61
ALogP
5
HBA
2
HBD
87.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F3NO4S
MW 369.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
16784844 10.1016/j.bmcl.2006.06.014 Fatty acid synthase 2

Data from ChEMBL 36 via Core Engine