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Compound Detail

CHEMBL1230762

ACETOACETIC ACID
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Basic Information

ChEMBL ID CHEMBL1230762
Name ACETOACETIC ACID
Phase Preclinical
Structure Type MOL
InChI Key WDJHALXBUFZDSR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

102.1
MW (Da)
0.05
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ium

Extended Properties

Molecular Formula C4H6O3
MW 102.09
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 0.90

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
9639576 10.1042/bj3330167 Monocarboxylate transporter 1 1
9374487 10.1074/jbc.272.48.30096 Monocarboxylate transporter 1 1
10417314 10.1042/0264-6021:3410529 Monocarboxylate transporter 2 1
11101640 10.1111/j.1469-7793.2000.00285.x Monocarboxylate transporter 4 1
37252106 10.1039/d3md00058c Putative citrate synthase 2 1

Data from ChEMBL 36 via Core Engine