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Compound Detail

CHEMBL2013155

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COc1nn(Cc2ccccc2Cn2nc(OC)c3cc([N+](=O)[O-])ccc32)c2ccc([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2013155
Phase Preclinical
Structure Type MOL
InChI Key ZQCCXWFEDHHVED-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
4.32
ALogP
10
HBA
0
HBD
140.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N6O6
MW 488.46
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.94

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22000935 10.1016/j.ejmech.2011.07.053 Danio rerio 1
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