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Compound Detail

CHEMBL3604399

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O=[N+]([O-])c1ccc2oc(NCc3ccccn3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604399
Phase Preclinical
Structure Type MOL
InChI Key GSBQTXYUXVVVMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.2
MW (Da)
2.74
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N4O3
MW 270.25
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.20

Literature References

PubMed DOI Target Context # Activities
26264839 10.1016/j.bmc.2015.07.051 Plasmodium falciparum 2
26264839 10.1016/j.bmc.2015.07.051 No relevant target 1

Data from ChEMBL 36 via Core Engine