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Compound Detail

CHEMBL240929

ERYCIBENIN C
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COc1ccc2c(c1)OC[C@@]1(OC)c3cc4c(cc3O[C@@H]21)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL240929
Name ERYCIBENIN C
Phase Preclinical
Structure Type MOL
InChI Key KSCLRZILZVMUPZ-ZWKOTPCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
2.79
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O6
MW 328.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.65

Literature References

PubMed DOI Target Context # Activities
17158054 10.1016/j.bmc.2006.09.024 U-937 3

Data from ChEMBL 36 via Core Engine