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Compound Detail

CHEMBL3604401

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CCN(CC)c1nc2cc([N+](=O)[O-])ccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604401
Phase Preclinical
Structure Type MOL
InChI Key FVMGGSDXRDUWNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
2.58
ALogP
5
HBA
0
HBD
72.4
PSA (Ų)
0.60
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 C11H13N3O3
MW 235.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.55

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