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Compound Detail

CHEMBL393293

CAFFEOYLMALIC ACID
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O=C(O)CC(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393293
Name CAFFEOYLMALIC ACID
Phase Preclinical
Structure Type MOL
InChI Key PMKQSEYPLQIEAY-DUXPYHPUSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

296.2
MW (Da)
0.58
ALogP
6
HBA
4
HBD
141.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H12O8
MW 296.23
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.38

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
2822857 10.1021/np50051a009 Unchecked 9
17287127 10.1016/j.bmc.2007.01.035 Tyrosinase 1
2822857 10.1021/np50051a009 ADMET 1

Data from ChEMBL 36 via Core Engine