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Compound Detail

CHEMBL509386

Z-PICEID
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OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL509386
Name Z-PICEID
Phase Preclinical
Structure Type MOL
InChI Key HSTZMXCBWJGKHG-BUFXCDORSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
0.45
ALogP
8
HBA
6
HBD
139.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H22O8
MW 390.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.75

Activity Summary

IC50 2 meas. best 4.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.78 4.78 16800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 16800.0 nM 4.78 Antioxidant activity against cupric ion-induced lipid peroxidation in human LDL ... 9599270

Literature References

PubMed DOI Target Context # Activities
9392877 10.1021/np970069t Platelet 2
9599270 10.1021/np9704819 Radical scavenging activity 1
9599270 10.1021/np9704819 NON-PROTEIN TARGET 1
8277318 10.1021/np50100a021 Unchecked 1
8277318 10.1021/np50100a021 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine