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Compound Detail

CHEMBL55060

E-METHYL CINNAMATE
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COC(=O)/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55060
Name E-METHYL CINNAMATE
Phase Preclinical
Structure Type MOL
InChI Key CCRCUPLGCSFEDV-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

162.2
MW (Da)
1.87
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H10O2
MW 162.19
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.40

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.19.4_299 Corticium 2
- 10.1584/jpestics.19.4_299 Pythium 2
25437621 10.1016/j.ejmech.2014.11.055 2-heptyl-4(1H)-quinolone synthase PqsD 2
9191959 10.1021/jm960280m Rattus norvegicus 1
9857096 10.1021/jm980424s Quinone oxidoreductase 1
21388814 10.1016/j.bmc.2011.02.013 Mus musculus 1
8704323 10.1271/bbb.60.909 Athelia rolfsii 1
8704323 10.1271/bbb.60.909 Pythium 1
23421743 10.1021/np300713c NON-PROTEIN TARGET 1
25437621 10.1016/j.ejmech.2014.11.055 Unchecked 1

Data from ChEMBL 36 via Core Engine