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Compound Detail

CHEMBL353026

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Cc1nc2cc([N+](=O)[O-])ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353026
Phase Preclinical
Structure Type MOL
InChI Key RKRXTVLCZDPERO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
1.78
ALogP
3
HBA
1
HBD
71.8
PSA (Ų)
0.53
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 -2.08

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17643992 10.1016/j.bmc.2007.04.010 Human gammaherpesvirus 4 4
1995902 10.1021/jm00106a046 Salmonella typhimurium 1
1995902 10.1021/jm00106a046 No relevant target 1
7120277 10.1021/jm00350a002 Cytochrome P450 2B1 1
7120277 10.1021/jm00350a002 No relevant target 1
17643992 10.1016/j.bmc.2007.04.010 Raji 1

Data from ChEMBL 36 via Core Engine