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Compound Detail

CHEMBL1916863

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O=C(NO)N/N=C/c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1916863
Phase Preclinical
Structure Type MOL
InChI Key KAJYCRNJJRQNMU-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
0.41
ALogP
4
HBA
4
HBD
94.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9N3O3
MW 195.18
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
21940166 10.1016/j.bmcl.2011.08.052 Yersinia pestis 7
21940166 10.1016/j.bmcl.2011.08.052 Mycobacterium tuberculosis 7

Data from ChEMBL 36 via Core Engine