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Compound Detail

CHEMBL452104

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CCCOC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452104
Phase Preclinical
Structure Type MOL
InChI Key NGERTWFHXYEYFA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
3.42
ALogP
6
HBA
1
HBD
107.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O6
MW 358.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
18407506 10.1016/j.bmc.2008.03.071 Blood 3

Data from ChEMBL 36 via Core Engine