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Compound Detail

CHEMBL3310958

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O=C(N/N=C/c1ccccc1O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310958
Phase Preclinical
Structure Type MOL
InChI Key DOXHMSIQZDQYNI-MHWRWJLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.65
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.66
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 C15H14N2O3
MW 270.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
24924425 10.1016/j.bmc.2014.05.034 No relevant target 3
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine