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Compound Detail

CHEMBL275626

PROPIONALDEHYDE
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Basic Information

ChEMBL ID CHEMBL275626
Name PROPIONALDEHYDE
Phase Preclinical
Structure Type MOL
InChI Key NBBJYMSMWIIQGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

58.1
MW (Da)
0.60
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C3H6O
MW 58.08
Aromatic Rings 0
Heavy Atoms 4
NP-Likeness 1.07

Literature References

PubMed DOI Target Context # Activities
10995371 10.1021/jf000233+ Myzus persicae 10
10995371 10.1021/jf000233+ Lactuca sativa 6
10995371 10.1021/jf000233+ Vitis vinifera 4
10995371 10.1021/jf000233+ Brassica oleracea var. italica 3
10995371 10.1021/jf000233+ Brassica oleracea var. capitata 3
10995371 10.1021/jf000233+ Citrus x paradisi 2
10995371 10.1021/jf000233+ Citrus sinensis 2
10995371 10.1021/jf000233+ Citrus limon 2
10995371 10.1021/jf000233+ Phaseolus vulgaris 2
10995371 10.1021/jf000233+ Oryza sativa 2
10995371 10.1021/jf000233+ Malus domestica 2
10995371 10.1021/jf000233+ Persea americana 2
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1
10866370 10.1016/s0960-894x(00)00172-4 No relevant target 1
10995371 10.1021/jf000233+ Pseudococcus viburni 1
10995371 10.1021/jf000233+ Pseudococcus affinis 1
10995371 10.1021/jf000233+ Frankliniella occidentalis 1
10995371 10.1021/jf000233+ Bemisia 1
10995371 10.1021/jf000233+ Tetranychus urticae 1
10995371 10.1021/jf000233+ Brevicoryne brassicae 1

Data from ChEMBL 36 via Core Engine