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Compound Detail

CHEMBL3633319

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O=C(Cn1ccnc1[N+](=O)[O-])N1CCN(c2ncccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633319
Phase Preclinical
Structure Type MOL
InChI Key SVRRSHIMBSPADA-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
-0.07
ALogP
8
HBA
0
HBD
110.3
PSA (Ų)
0.57
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 C13H15N7O3
MW 317.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.74

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
26363868 10.1016/j.ejmech.2015.08.042 Unchecked 3
26363868 10.1016/j.ejmech.2015.08.042 Trypanosoma cruzi 1
26363868 10.1016/j.ejmech.2015.08.042 Trypanosoma brucei rhodesiense 1
26363868 10.1016/j.ejmech.2015.08.042 Leishmania donovani 1
26363868 10.1016/j.ejmech.2015.08.042 L6 1

Data from ChEMBL 36 via Core Engine