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Compound Detail

CHEMBL504636

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N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(NC(N)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504636
Phase Preclinical
Structure Type MOL
InChI Key WOGNJXQIXAMMOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.75
ALogP
5
HBA
2
HBD
131.3
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 C14H10N4O4
MW 298.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.00

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