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Compound Detail

CHEMBL4859800

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Cc1ncc([N+](=O)[O-])n1CCOCc1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859800
Phase Preclinical
Structure Type MOL
InChI Key DXBHUBHHNWWAAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
2.22
ALogP
7
HBA
0
HBD
113.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O5
MW 306.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
33234343 10.1016/j.ejmech.2020.112994 Pancreatic alpha-amylase 1

Data from ChEMBL 36 via Core Engine