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Compound Detail

CHEMBL3935008

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Cc1nonc1C(=O)c1no[n+]([O-])c1C(=O)c1nonc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3935008
Phase Preclinical
Structure Type MOL
InChI Key SQLHBKAPFSXNIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
-0.85
ALogP
11
HBA
0
HBD
164.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6N6O6
MW 306.19
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.76

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