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Compound Detail

CHEMBL3314714

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COc1cc(C[C@@]2(O)CO[C@H](c3ccc(O)c(OC)c3)[C@H]2COC(C)=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314714
Phase Preclinical
Structure Type MOL
InChI Key YCWJRVPTFUUJIS-NPFVIJTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
2.34
ALogP
8
HBA
3
HBD
114.7
PSA (Ų)
0.59
QED
0
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 C22H26O8
MW 418.44
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.30

Literature References

PubMed DOI Target Context # Activities
24963714 10.1021/np400831p RAW264.7 2

Data from ChEMBL 36 via Core Engine