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Compound Detail

CHEMBL208578

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COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(-c4c(OC)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1

Basic Information

ChEMBL ID CHEMBL208578
Phase Preclinical
Structure Type MOL
InChI Key UXZIDQIKMJUHLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

580.5
MW (Da)
6.04
ALogP
10
HBA
3
HBD
148.8
PSA (Ų)
0.21
QED
2
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 C33H24O10
MW 580.55
Aromatic Rings 6
Heavy Atoms 43
NP-Likeness 1.00

Literature References

PubMed DOI Target Context # Activities
16574412 10.1016/j.bmcl.2006.03.018 Osteoblast 3
20598535 10.1016/j.bmcl.2010.06.021 Beta-secretase 1 1
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