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Compound Detail

CHEMBL482620

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N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482620
Phase Preclinical
Structure Type MOL
InChI Key ZXFXGAGDBALJLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
2.96
ALogP
5
HBA
1
HBD
113.5
PSA (Ų)
0.68
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 C14H8N2O5
MW 284.23
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
18710805 10.1016/j.bmcl.2008.07.099 Coxsackievirus B3 1

Data from ChEMBL 36 via Core Engine