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Compound Detail

CHEMBL2046929

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O.O=[N+]([O-])c1ccc2c(c1)CC([O-])=N[N+]21CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2046929
Phase Preclinical
Structure Type MOL
InChI Key JEUGNJKUNWNFLO-UHFFFAOYSA-N
Parent Compound CHEMBL2013153
Active Moiety CHEMBL2013153
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.32
ALogP
4
HBA
0
HBD
78.6
PSA (Ų)
0.43
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 C13H17N3O4
MW 279.30
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.54

Activity Summary

IC50 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine