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Compound Detail

CHEMBL3589108

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COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1Oc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589108
Phase Preclinical
Structure Type MOL
InChI Key PTKBMDRXKOIHCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

552.5
MW (Da)
5.86
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C31H20O10
MW 552.49
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness 0.92

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