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Compound Detail

CHEMBL3237969

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OC[C@H]1O[C@@H](c2nc(-c3ccc(O)cc3)n[nH]2)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL3237969
Phase Preclinical
Structure Type MOL
InChI Key YFAQQSHHRSTJJB-RMPHRYRLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
-1.31
ALogP
8
HBA
6
HBD
151.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O6
MW 323.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.52

Activity Summary

Ki 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL4696
Ki 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form Ki = 2900.0 nM 5.54 Inhibition of rabbit muscle glycogen phosphorylase b 24608000

Literature References

PubMed DOI Target Context # Activities
24608000 10.1016/j.ejmech.2014.02.041 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine