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Compound Detail

CHEMBL1086457

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COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1086457
Phase Preclinical
Structure Type MOL
InChI Key GYFWCDBPKXDHGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
1.25
ALogP
7
HBA
2
HBD
111.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17NO7S
MW 343.36
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
20471252 10.1016/j.bmcl.2010.04.095 Fatty acid-binding protein, adipocyte 2

Data from ChEMBL 36 via Core Engine