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Compound Detail

CHEMBL2042781

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O=C(/C=C/c1ccccc1)N/N=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042781
Phase Preclinical
Structure Type MOL
InChI Key GABWGLQZIQWIEB-YXVPWWKOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.26
ALogP
4
HBA
3
HBD
81.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O3
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22727447 10.1016/j.ejmech.2012.05.041 Trypanosoma cruzi 2
22727447 10.1016/j.ejmech.2012.05.041 J774 1

Data from ChEMBL 36 via Core Engine