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Compound Detail

CHEMBL3233508

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COc1cc(O)c(C(=O)c2ccc(O)cc2)c(O)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233508
Phase Preclinical
Structure Type MOL
InChI Key QAGIFLJVFGOXJD-BDEJEHHJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

542.5
MW (Da)
1.13
ALogP
12
HBA
7
HBD
203.4
PSA (Ų)
0.17
QED
3
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 C27H26O12
MW 542.49
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 1.58

Literature References

PubMed DOI Target Context # Activities
24613627 10.1016/j.bmc.2014.02.014 Neuraminidase 2
24613627 10.1016/j.bmc.2014.02.014 Genome polyprotein 2
27466882 10.1021/acs.jnatprod.6b00381 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine