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Compound Detail

CHEMBL4536141

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COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4c(OC)cc5oc(-c6ccc(O)cc6)cc(=O)c5c4O)c3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4536141
Phase Preclinical
Structure Type MOL
InChI Key KTIHIXHZDCHISY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
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 Unknown
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 1.04

Literature References

PubMed DOI Target Context # Activities
31138471 10.1016/j.bmcl.2019.05.020 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine