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Compound Detail

CHEMBL2013145

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Cn1c(=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2013145
Phase Preclinical
Structure Type MOL
InChI Key VXMGLZPZQBEBDY-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
2.30
ALogP
5
HBA
0
HBD
70.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O3
MW 283.29
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.25

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22000935 10.1016/j.ejmech.2011.07.053 Danio rerio 7
22000935 10.1016/j.ejmech.2011.07.053 J774 3
23124218 10.1016/j.ejmech.2012.10.009 J774 3
23124218 10.1016/j.ejmech.2012.10.009 Trypanosoma cruzi 3
22000935 10.1016/j.ejmech.2011.07.053 Mus musculus 2
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