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Compound Detail

CHEMBL1928024

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Cn1nc(-c2ccc(CN=[N+]=[N-])o2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1928024
Phase Preclinical
Structure Type MOL
InChI Key FLIMQJMRZJWOSP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.64
ALogP
4
HBA
0
HBD
79.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N5O
MW 253.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
21937231 10.1016/j.bmcl.2011.08.120 Unchecked 1

Data from ChEMBL 36 via Core Engine