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Compound Detail

CHEMBL2046938

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CN1C(=O)C2CCCCN2c2ccc([N+](=O)[O-])cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2046938
Phase Preclinical
Structure Type MOL
InChI Key XUOOZXAAEQNQGS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.93
ALogP
4
HBA
0
HBD
66.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O3
MW 261.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.95

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22738640 10.1016/j.bmcl.2012.06.004 L6 1
22738640 10.1016/j.bmcl.2012.06.004 Trypanosoma brucei rhodesiense 1
22738640 10.1016/j.bmcl.2012.06.004 Unchecked 1

Data from ChEMBL 36 via Core Engine