Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL489972

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
OC[C@H]1O[C@]2(ON=C(c3ccc(F)cc3)S2)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL489972
Phase Preclinical
Structure Type MOL
InChI Key VTMQYLNAVSIEKQ-HMUNZLOLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
-0.62
ALogP
8
HBA
4
HBD
111.7
PSA (Ų)
0.57
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 C13H14FNO6S
MW 331.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.61

Activity Summary

Ki 2 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL4696
Ki 4.55 4.435 28000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18793852 10.1016/j.bmcl.2008.08.052 Glycogen phosphorylase, muscle form 1
19574053 10.1016/j.bmc.2009.05.080 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine