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Compound Detail

CHEMBL209576

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CS(=O)(=O)c1ccc2nc(O)c(-c3ccccc3)c(O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209576
Phase Preclinical
Structure Type MOL
InChI Key CVTHIBARZDDKKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.72
ALogP
5
HBA
2
HBD
87.5
PSA (Ų)
0.76
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 C16H13NO4S
MW 315.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.91

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