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Compound Detail

CHEMBL3589106

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COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4c(OC)cc(O)c5c(=O)cc(-c6ccc(OC)cc6)oc45)c3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589106
Phase Preclinical
Structure Type MOL
InChI Key KQVQZFVRSOIPIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

594.6
MW (Da)
6.35
ALogP
10
HBA
2
HBD
137.8
PSA (Ų)
0.22
QED
2
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 C34H26O10
MW 594.57
Aromatic Rings 6
Heavy Atoms 44
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
26004578 10.1016/j.bmcl.2015.04.106 NON-PROTEIN TARGET 1
31138471 10.1016/j.bmcl.2019.05.020 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine