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Compound Detail

CHEMBL250531

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CC(=O)N(O)C/C=C(/c1cccc([N+](=O)[O-])c1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250531
Phase Preclinical
Structure Type MOL
InChI Key QTAPBGVZTNATSN-WZUFQYTHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.2
MW (Da)
1.35
ALogP
5
HBA
3
HBD
141.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N2O7P
MW 316.21
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
17583502 10.1016/j.bmcl.2007.06.026 Unchecked 1

Data from ChEMBL 36 via Core Engine