Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL440287

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(N=O)C(=N)N[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440287
Phase Preclinical
Structure Type MOL
InChI Key VZUNGTLZRAYYDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

147.1
MW (Da)
-0.68
ALogP
5
HBA
2
HBD
111.7
PSA (Ų)
0.18
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 C2H5N5O3
MW 147.09
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
31787363 10.1016/j.ejmech.2019.111887 RAW264.7 3
12408707 10.1021/jm020259n A549 2
12519059 10.1021/jm0255769 A549 2
18295489 10.1016/j.bmc.2007.11.029 Rattus norvegicus 2
27397496 10.1016/j.bmcl.2016.06.071 ADMET 1

Data from ChEMBL 36 via Core Engine