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Compound Detail

CHEMBL1668878

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Cn1c([N+](=O)[O-])cnc1COc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1668878
Phase Preclinical
Structure Type MOL
InChI Key BJNXOHUHVWNFLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
1.91
ALogP
5
HBA
0
HBD
70.2
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 C11H11N3O3
MW 233.23
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
21211967 10.1016/j.bmcl.2010.12.040 No relevant target 2
21211967 10.1016/j.bmcl.2010.12.040 Trypanosoma brucei rhodesiense 1
21211967 10.1016/j.bmcl.2010.12.040 L6 1

Data from ChEMBL 36 via Core Engine