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Compound Detail

CHEMBL170365

ACETALDEHYDE
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Basic Information

ChEMBL ID CHEMBL170365
Name ACETALDEHYDE
Phase Preclinical
Structure Type MOL
InChI Key IKHGUXGNUITLKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

44.0
MW (Da)
0.21
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C2H4O
MW 44.05
Aromatic Rings 0
Heavy Atoms 3
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
592323 10.1021/jm00222a009 Ehrlich 3
- 10.1016/S0960-894X(01)80261-4 Catharanthus roseus 2
12061879 10.1021/jm0105833 Human immunodeficiency virus type 1 protease 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
14969531 10.1021/jf034936d Escherichia coli 1
14969531 10.1021/jf034936d Staphylococcus aureus 1
14969531 10.1021/jf034936d Listeria monocytogenes 1
14969531 10.1021/jf034936d Vibrio parahaemolyticus 1
14969531 10.1021/jf034936d Salmonella typhimurium 1
14969531 10.1021/jf034936d Bacillus cereus 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine