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Compound Detail

CHEMBL1984585

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O=c1c2cc([N+](=O)[O-])ccc2[nH]n1Cc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1984585
Phase Preclinical
Structure Type MOL
InChI Key GALGLDSKMWWFJV-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

270.2
MW (Da)
1.68
ALogP
5
HBA
1
HBD
93.8
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 C13H10N4O3
MW 270.25
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.87

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