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Compound Detail

CHEMBL4642131

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O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642131
Phase Preclinical
Structure Type MOL
InChI Key MCGHDBIFVNBNPB-ZROIWOOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
3.21
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9NO4
MW 267.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
31744778 10.1016/j.bmc.2019.115191 MDCK 1
31744778 10.1016/j.bmc.2019.115191 Influenza A virus 1
31744778 10.1016/j.bmc.2019.115191 Neuraminidase 1

Data from ChEMBL 36 via Core Engine