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Compound Detail

CHEMBL4846195

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COc1cc(COCCn2c([N+](=O)[O-])cnc2C)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4846195
Phase Preclinical
Structure Type MOL
InChI Key KKESDTFOPDODKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
2.33
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O5
MW 321.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.36

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