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Compound Detail

CHEMBL471253

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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471253
Phase Preclinical
Structure Type MOL
InChI Key MKIFWDWOGFZNTR-RMKNXTFCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.2
MW (Da)
3.40
ALogP
5
HBA
0
HBD
103.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2O5
MW 298.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.78

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19250824 10.1016/j.bmcl.2009.02.042 Plasmodium falciparum 2
19250824 10.1016/j.bmcl.2009.02.042 Protein kinase Pfmrk 1
19250824 10.1016/j.bmcl.2009.02.042 Unchecked 1

Data from ChEMBL 36 via Core Engine