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Compound Detail

CHEMBL3357343

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N=C(N)Nc1ccccc1.O=[N+]([O-])O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3357343
Phase Preclinical
Structure Type MOL
InChI Key DIHKZQUSGDYVOT-UHFFFAOYSA-N
Parent Compound CHEMBL14047
Active Moiety CHEMBL14047
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

135.2
MW (Da)
0.99
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.40
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 C7H10N4O3
MW 198.18
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
25466178 10.1016/j.bmcl.2014.11.004 Nucleic Acid 1

Data from ChEMBL 36 via Core Engine