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Compound Detail

CHEMBL199341

HEXYLITACONIC ACID
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C=C(C(=O)O)C(CCCCCC)C(=O)O

Basic Information

ChEMBL ID CHEMBL199341
Name HEXYLITACONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key HKMDCNSGDQBQLI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
2.30
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H18O4
MW 214.26
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.35

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16246554 10.1016/j.bmcl.2005.09.052 E3 ubiquitin-protein ligase Mdm2 1
15217297 10.1021/np034061x Priestia megaterium 1
15217297 10.1021/np034061x Escherichia coli 1
15217297 10.1021/np034061x Microbotryum violaceum 1
15217297 10.1021/np034061x Aspergillus pseudoglaucus 1
15217297 10.1021/np034061x Mycotypha microspora 1
15217297 10.1021/np034061x [Chlorella] fusca 1
22104152 10.1016/j.bmcl.2011.10.054 Unchecked 1

Data from ChEMBL 36 via Core Engine