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Compound Detail

CHEMBL471254

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C/C(=C\C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL471254
Phase Preclinical
Structure Type MOL
InChI Key HYANPVXCNXDNLW-DHZHZOJOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
3.79
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 C16H12N2O5
MW 312.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 5.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.09 5.085 8200.0 2

Activity Data Samples

Top measurements by pChEMBL value

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