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Compound Detail

CHEMBL354723

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Cn1ncc2cccc([N+](=O)[O-])c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL354723
Phase Preclinical
Structure Type MOL
InChI Key HLSOBULFCLIDKE-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
1.48
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7N3O2
MW 177.16
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.89

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
1995902 10.1021/jm00106a046 Salmonella typhimurium 1
1995902 10.1021/jm00106a046 No relevant target 1
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 1 1
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase, inducible 1
18502134 10.1016/j.bmc.2008.04.056 Nitric oxide synthase 3 1
18502134 10.1016/j.bmc.2008.04.056 RAW264.7 1
19679481 10.1016/j.bmc.2009.07.067 Nitric oxide synthase 1 1
19679481 10.1016/j.bmc.2009.07.067 Nitric oxide synthase, inducible 1

Data from ChEMBL 36 via Core Engine