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Compound Detail

CHEMBL3759194

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O=[N+]([O-])c1ccc2ncnc(Nc3cccc(O)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3759194
Phase Preclinical
Structure Type MOL
InChI Key QYOFFVCXTNNNKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.99
ALogP
6
HBA
2
HBD
101.2
PSA (Ų)
0.57
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 C14H10N4O3
MW 282.26
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
26619389 10.1016/j.ejmech.2015.11.016 Leishmania major 1

Data from ChEMBL 36 via Core Engine