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Compound Detail

CHEMBL446036

MALONALDEHYDE
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Basic Information

ChEMBL ID CHEMBL446036
Name MALONALDEHYDE
Phase Preclinical
Structure Type MOL
InChI Key WSMYVTOQOOLQHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

72.1
MW (Da)
-0.23
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.33
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 C3H4O2
MW 72.06
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness 1.63

Literature References

PubMed DOI Target Context # Activities
17548130 10.1016/j.ejmech.2007.03.038 NON-PROTEIN TARGET 10
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine