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Compound Detail

CHEMBL454878

TRIFOLIRHIZIN
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OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL454878
Name TRIFOLIRHIZIN
Phase Preclinical
Structure Type MOL
InChI Key VGSYCWGXBYZLLE-QEEQPWONSA-N
0
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
0.20
ALogP
10
HBA
4
HBD
136.3
PSA (Ų)
0.52
QED
0
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 C22H22O10
MW 446.41
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 2.17

Activity Summary

IC50 2 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18938076 10.1016/j.bmcl.2008.10.033 Unchecked 2
26073007 10.1016/j.bmcl.2015.05.062 RAW264.7 2
9868163 10.1021/np980103j Human alphaherpesvirus 1 1
9868163 10.1021/np980103j Human alphaherpesvirus 2 1
28236591 10.1016/j.bmcl.2017.01.078 Solute carrier family 2, facilitated glucose transporter member 4 1
38295689 10.1016/j.ejmech.2023.116117 5'-AMP-activated protein kinase catalytic subunit alpha-2 1

Data from ChEMBL 36 via Core Engine