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Compound Detail

CHEMBL1096135

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O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL1096135
Phase Preclinical
Structure Type MOL
InChI Key PBGBADORVLQASN-DDIGBBAMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.2
MW (Da)
-3.49
ALogP
8
HBA
5
HBD
145.0
PSA (Ų)
0.38
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 C10H14N2O7
MW 274.23
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.47

Activity Summary

Ki 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen phosphorylase, muscle form
CHEMBL4696
Ki 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen phosphorylase, muscle form Ki = 6100.0 nM 5.21 Inhibition of rabbit muscle glycogen phosphorylase inactive form b 20430629

Literature References

PubMed DOI Target Context # Activities
20430629 10.1016/j.bmc.2010.04.004 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine