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Quick search ChEMBL 36
Compound Detail

CHEMBL1933678

GINNALIN B
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O=C(OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933678
Name GINNALIN B
Phase Preclinical
Structure Type MOL
InChI Key NUVIRDWXIBOJTE-LUTQBAROSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
-1.56
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H16O9
MW 316.26
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.52

Activity Summary

IC50 1 meas. best 4.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Radical scavenging activity
CHEMBL613712
 IC50 4.49 4.49 32700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Radical scavenging activity IC50 = 32700.0 nM 4.49 Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... 22079755

Literature References

PubMed DOI Target Context # Activities
31005366 10.1016/j.bmc.2019.04.008 Unchecked 19
31005366 10.1016/j.bmc.2019.04.008 Zone of skin 2
22079755 10.1016/j.bmcl.2011.10.073 Unchecked 1
22079755 10.1016/j.bmcl.2011.10.073 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine