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

CHEMBL594971

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
Cc1ccc(C2=NO[C@@]3(C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1

Basic Information

ChEMBL ID CHEMBL594971
Phase Preclinical
Structure Type MOL
InChI Key GTYOYEGMJMKJRE-UXXRCYHCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
-0.71
ALogP
7
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 C15H19NO6
MW 309.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.34

Activity Summary

Ki 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL4696
Ki 5.1 5.1 7900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form Ki = 7900.0 nM 5.1 Inhibition of rabbit muscle glycogen phosphorylase b 19781947

Literature References

PubMed DOI Target Context # Activities
19781947 10.1016/j.bmc.2009.08.060 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine