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Compound Detail

CHEMBL502250

REPENIN D
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COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2COC(=O)c2ccc(O)c(O)c2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL502250
Name REPENIN D
Phase Preclinical
Structure Type MOL
InChI Key WQIZCXIRVAHPRD-ZJSXRUAMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

552.5
MW (Da)
3.67
ALogP
12
HBA
3
HBD
163.3
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H24O12
MW 552.49
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness 1.38

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19464173 10.1016/j.bmcl.2009.05.006 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine