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Compound Detail

CHEMBL489046

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COc1cc([N+](=O)[O-])ccc1/N=C/c1coc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489046
Phase Preclinical
Structure Type MOL
InChI Key ONAGNTPFVPBGRG-GIJQJNRQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
3.46
ALogP
6
HBA
0
HBD
94.9
PSA (Ų)
0.42
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 C17H12N2O5
MW 324.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
20576329 10.1016/j.ejmech.2010.05.065 NON-PROTEIN TARGET 3
19329330 10.1016/j.bmc.2009.03.020 Thymidine phosphorylase 1

Data from ChEMBL 36 via Core Engine