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Compound Detail

CHEMBL249809

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

Basic Information

ChEMBL ID CHEMBL249809
Phase Preclinical
Structure Type MOL
InChI Key QQHZPQUHCAKSOL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

119.1
MW (Da)
0.99
ALogP
3
HBA
0
HBD
52.4
PSA (Ų)
0.31
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 C4H9NO3
MW 119.12
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness -0.69

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17855086 10.1016/j.bmcl.2007.08.046 Molecular identity unknown 2

Data from ChEMBL 36 via Core Engine