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Compound Detail

CHEMBL572339

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O=C(/C=C/c1ccc[nH]1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL572339
Phase Preclinical
Structure Type MOL
InChI Key IROAIBYOOAEFGE-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
2.91
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO
MW 197.24
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9667-4 Serratia marcescens 2
- 10.1007/s00044-011-9667-4 Micrococcus luteus 2
- 10.1007/s00044-011-9667-4 Salmonella typhi 2
- 10.1007/s00044-011-9667-4 Pseudomonas aeruginosa 2
- 10.1007/s00044-011-9667-4 Escherichia coli 2
- 10.1007/s00044-011-9667-4 Priestia megaterium 2
- 10.1007/s00044-011-9667-4 Proteus vulgaris 2
- 10.1007/s00044-011-9667-4 Klebsiella pneumoniae 2
- 10.1007/s00044-011-9667-4 Citrobacter freundii 2
- 10.1007/s00044-011-9667-4 Aspergillus oryzae 1
19155103 10.1016/j.ejmech.2008.12.011 HL-60 1
- 10.1007/s00044-011-9667-4 Candida albicans 1
- 10.1007/s00044-011-9667-4 Aspergillus niger 1
- 10.1007/s00044-011-9667-4 Fusarium verticillioides 1
19155103 10.1016/j.ejmech.2008.12.011 Nucleic Acid 1
19155103 10.1016/j.ejmech.2008.12.011 NON-PROTEIN TARGET 1
19155103 10.1016/j.ejmech.2008.12.011 HeLa 1

Data from ChEMBL 36 via Core Engine