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Compound Detail

CHEMBL549434

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O=[N+]([O-])c1ccc(-c2noc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL549434
Phase Preclinical
Structure Type MOL
InChI Key HOUGQVXUHDQKPV-RMPHRYRLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
-0.84
ALogP
10
HBA
4
HBD
172.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O8
MW 353.29
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.26

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19450985 10.1016/j.bmc.2009.04.036 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine