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Compound Detail

CHEMBL250212

SORBIC ACID
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C/C=C/C=C/C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250212
Name SORBIC ACID
Phase Preclinical
Structure Type MOL
InChI Key WSWCOQWTEOXDQX-MQQKCMAXSA-N

Known Names

2,4-hexadienoic acid, (e,e)- E200 FEMA NO. 3921 INS-200 NSC-35405 NSC-49103 NSC-50268 Sorbic acid
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
8
Known Names

Molecular Properties

112.1
MW (Da)
1.20
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C6H8O2
MW 112.13
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 1.74

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
 IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 210.0 nM 6.68 Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... 21388814

Literature References

PubMed DOI Target Context # Activities
12083872 10.1021/jf020088v Saccharomyces cerevisiae 8
31678743 10.1016/j.ejmech.2019.111810 Staphylococcus aureus 3
15969495 10.1021/jf0500987 Zygosaccharomyces bailii 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
31678743 10.1016/j.ejmech.2019.111810 Pseudomonas aeruginosa 2
31678743 10.1016/j.ejmech.2019.111810 Escherichia coli 2
19520580 10.1016/j.bmc.2009.05.042 Histone deacetylase 1
21388814 10.1016/j.bmc.2011.02.013 Mus musculus 1
17869511 10.1016/j.bmcl.2007.08.037 Bacillus subtilis 1
17869511 10.1016/j.bmcl.2007.08.037 No relevant target 1
24249037 10.1007/s11095-013-1232-z No relevant target 1
17869511 10.1016/j.bmcl.2007.08.037 Aspergillus niger 1
31678743 10.1016/j.ejmech.2019.111810 Staphylococcus epidermidis 1
31678743 10.1016/j.ejmech.2019.111810 Enterococcus hirae 1
17869511 10.1016/j.bmcl.2007.08.037 Candida albicans 1
17869511 10.1016/j.bmcl.2007.08.037 Escherichia coli 1
17869511 10.1016/j.bmcl.2007.08.037 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine