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Compound Detail

CHEMBL3764673

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OC[C@H]1O[C@@]2(CC(c3cc4ccccc4[nH]3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764673
Phase Preclinical
Structure Type MOL
InChI Key DTVPCYNMDGQXRH-IBEHDNSVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
-0.54
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.50
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 C16H18N2O6
MW 334.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.23

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26708111 10.1016/j.ejmech.2015.12.004 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine