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Compound Detail

CHEMBL4866437

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Cc1ncc([N+](=O)[O-])n1CCOCc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866437
Phase Preclinical
Structure Type MOL
InChI Key RAMHPOWCPOPESQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
1.71
ALogP
6
HBA
0
HBD
83.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N4O3
MW 262.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.81

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