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Compound Detail

CHEMBL4782163

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Cc1no[n+]([O-])c1C(=O)c1no[n+]([O-])c1C(=O)c1no[n+]([O-])c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782163
Phase Preclinical
Structure Type MOL
InChI Key CMAUEYRUSSYVNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)
-2.37
ALogP
11
HBA
0
HBD
193.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6N6O8
MW 338.19
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
31978780 10.1016/j.ejmech.2019.111981 Unchecked 3
31978780 10.1016/j.ejmech.2019.111981 U-251 1
31978780 10.1016/j.ejmech.2019.111981 C6 1
31978780 10.1016/j.ejmech.2019.111981 Astrocyte 1

Data from ChEMBL 36 via Core Engine