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Compound Detail

CHEMBL241571

ERYCIBENIN D
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COc1cc([C@H]2Oc3cc(O)ccc3C(=O)[C@@H]2O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241571
Name ERYCIBENIN D
Phase Preclinical
Structure Type MOL
InChI Key OILXOIAGIWQYOO-JKSUJKDBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.78
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.78
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 C16H14O6
MW 302.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.96

Literature References

PubMed DOI Target Context # Activities
19928832 10.1021/np900676y T47D 4
19928832 10.1021/np900676y MCF7 4
17158054 10.1016/j.bmc.2006.09.024 U-937 3

Data from ChEMBL 36 via Core Engine