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Compound Detail

CHEMBL428230

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COc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cc(C(=O)O)c(O)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428230
Phase Preclinical
Structure Type MOL
InChI Key WAOUXWBIGCPABG-GORDUTHDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
3.73
ALogP
6
HBA
2
HBD
122.8
PSA (Ų)
0.52
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 C19H14N2O6
MW 366.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17904844 10.1016/j.bmcl.2007.09.040 P388 1
17904844 10.1016/j.bmcl.2007.09.040 SK-N-MC 1
17904844 10.1016/j.bmcl.2007.09.040 No relevant target 1

Data from ChEMBL 36 via Core Engine