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Compound Detail

CHEMBL501437

REPENIN A
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COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2COC(=O)/C=C/c2ccc(O)cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501437
Name REPENIN A
Phase Preclinical
Structure Type MOL
InChI Key NJRCZZBEKGHAHH-JMGYAOOXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
4.36
ALogP
10
HBA
2
HBD
133.9
PSA (Ų)
0.20
QED
1
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 C29H24O10
MW 532.50
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 1.54

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