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Compound Detail

CHEMBL2013144

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O=c1c2cc([N+](=O)[O-])ccc2[nH]n1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2013144
Phase Preclinical
Structure Type MOL
InChI Key HKGFJQWIKQMOHY-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.29
ALogP
4
HBA
1
HBD
80.9
PSA (Ų)
0.58
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 C14H11N3O3
MW 269.26
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.31

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22000935 10.1016/j.ejmech.2011.07.053 Danio rerio 7
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