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Compound Detail

CHEMBL3936229

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OC[C@H]1O[C@@H](c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3936229
Phase Preclinical
Structure Type MOL
InChI Key BXYAGWFWFGSNOO-RGDJUOJXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
-0.32
ALogP
5
HBA
5
HBD
105.9
PSA (Ų)
0.52
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 C14H17NO5
MW 279.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.05

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27522507 10.1016/j.ejmech.2016.06.049 Glycogen phosphorylase, muscle form 2
27522507 10.1016/j.ejmech.2016.06.049 Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine