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Compound Detail

CHEMBL4088700

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COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088700
Phase Preclinical
Structure Type MOL
InChI Key KOWMJRJXZMEZLD-GKHNXXNSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
3.21
ALogP
8
HBA
2
HBD
95.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
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 0.84

Literature References

PubMed DOI Target Context # Activities
28911817 10.1016/j.bmcl.2017.08.047 BV-2 1

Data from ChEMBL 36 via Core Engine