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Compound Detail

CHEMBL495830

DURANTIN A
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COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2COC(C)=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495830
Name DURANTIN A
Phase Preclinical
Structure Type MOL
InChI Key ICLAWMWLMZMRGC-IEBWSBKVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
2.96
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.48
QED
0
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 C22H20O9
MW 428.39
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 1.83

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20813432 10.1016/j.ejmech.2010.08.027 NON-PROTEIN TARGET 6
19464173 10.1016/j.bmcl.2009.05.006 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine