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Compound Detail

CHEMBL3237966

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Cc1ccc(-c2n[nH]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1

Basic Information

ChEMBL ID CHEMBL3237966
Phase Preclinical
Structure Type MOL
InChI Key YAGKTBWCGRXONX-UJPOAAIJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
-0.70
ALogP
7
HBA
5
HBD
131.7
PSA (Ų)
0.50
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 C15H19N3O5
MW 321.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.16

Activity Summary

Ki 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL4696
Ki 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form Ki = 1700.0 nM 5.77 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