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

CHEMBL488967

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
O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL488967
Phase Preclinical
Structure Type MOL
InChI Key FANYWVRVEKFHBJ-OWVAZHOYSA-N
1
Targets
9
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
-0.63
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO6
MW 333.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.57

Activity Summary

Ki 9 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL4696
 Ki 5.4 5.0322 4000.0 9

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form Ki = 4000.0 nM 5.4 Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorga... 25092521
Glycogen phosphorylase, muscle form Ki = 10000.0 nM 5.0 Inhibition of rabbit muscle glycogen phosphorylase b 18793852
Glycogen phosphorylase, muscle form Ki = 10000.0 nM 5.0 Inhibition of rabbit muscle glycogen phosphorylase b 19450985
Glycogen phosphorylase, muscle form Ki = 10000.0 nM 5.0 Inhibition of rabbit skeletal muscle glycogen phosphorylase b 20080412
Glycogen phosphorylase, muscle form Ki = 10000.0 nM 5.0 Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosp... 22325154
Glycogen phosphorylase, muscle form Ki = 10000.0 nM 5.0 Inhibition of rabbit muscle glycogen phosphorylase b 24900719
Glycogen phosphorylase, muscle form Ki = 10000.0 nM 5.0 Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Lineweaver-Burk... 23938052
Glycogen phosphorylase, muscle form Ki = 10000.0 nM 5.0 Inhibition of rabbit muscle glycogen phosphorylase b 24608000
Glycogen phosphorylase, muscle form Ki = 13000.0 nM 4.89 Inhibition of rabbit skeletal muscle glycogen phosphorylase b 20080412

Literature References

PubMed DOI Target Context # Activities
20080412 10.1016/j.bmc.2009.12.043 Glycogen phosphorylase, muscle form 2
18793852 10.1016/j.bmcl.2008.08.052 Glycogen phosphorylase, muscle form 1
19450985 10.1016/j.bmc.2009.04.036 Glycogen phosphorylase, muscle form 1
22325154 10.1016/j.bmc.2011.12.059 Glycogen phosphorylase, muscle form 1
24900719 10.1021/ml4001529 Glycogen phosphorylase, muscle form 1
23938052 10.1016/j.bmc.2013.07.024 Glycogen phosphorylase, muscle form 1
24608000 10.1016/j.ejmech.2014.02.041 Glycogen phosphorylase, muscle form 1
25092521 10.1016/j.bmc.2014.06.058 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine