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Compound Detail

CHEMBL378516

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COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4cc(-c5cc(=O)c6c(O)cc(OC)cc6o5)ccc4OC)c3o2)cc1

Basic Information

ChEMBL ID CHEMBL378516
Phase Preclinical
Structure Type MOL
InChI Key VXQYICLHHMETFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
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 0.87

Literature References

PubMed DOI Target Context # Activities
16574412 10.1016/j.bmcl.2006.03.018 Osteoblast 5
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
35235336 10.1021/acs.jmedchem.1c01654 Unchecked 1

Data from ChEMBL 36 via Core Engine