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Compound Detail

CHEMBL1404017

ISOBUTYRALDEHYDE
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Basic Information

ChEMBL ID CHEMBL1404017
Name ISOBUTYRALDEHYDE
Phase Preclinical
Structure Type MOL
InChI Key AMIMRNSIRUDHCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

72.1
MW (Da)
0.84
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.42
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 C4H8O
MW 72.11
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
10995371 10.1021/jf000233+ Myzus persicae 7
10995371 10.1021/jf000233+ Lactuca sativa 2
10995371 10.1021/jf000233+ Brevicoryne brassicae 1
10995371 10.1021/jf000233+ Tetranychus urticae 1
10995371 10.1021/jf000233+ Bemisia 1
10995371 10.1021/jf000233+ Frankliniella occidentalis 1
10995371 10.1021/jf000233+ Pseudococcus affinis 1
10995371 10.1021/jf000233+ Pseudococcus viburni 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine