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Compound Detail

CHEMBL427693

ERYCIBENIN B
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CC(C)(O)[C@@H](O)Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL427693
Name ERYCIBENIN B
Phase Preclinical
Structure Type MOL
InChI Key ZPPVCMASJXQQMG-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.25
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O7
MW 372.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.82

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