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Compound Detail

CHEMBL2042779

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O=C(/C=C/c1ccccc1)N/N=C/c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2042779
Phase Preclinical
Structure Type MOL
InChI Key UFALRPXASBDMJX-OENGIGCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.56
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.51
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 C16H14N2O2
MW 266.30
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9543-7 Aspergillus niger 3
- 10.1007/s00044-010-9543-7 Candida albicans 3
- 10.1007/s00044-010-9543-7 Escherichia coli 3
- 10.1007/s00044-010-9543-7 Bacillus subtilis 3
- 10.1007/s00044-010-9543-7 Staphylococcus aureus 3
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