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Compound Detail

CHEMBL3758295

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O=[N+]([O-])c1ccc2ncnc(Nc3ccc(I)cc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3758295
Phase Preclinical
Structure Type MOL
InChI Key LNOOPQPIUUGSCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.2
MW (Da)
3.89
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.42
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 C14H9IN4O2
MW 392.16
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.93

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