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Compound Detail

CHEMBL3401031

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COc1cc2oc(-c3cccc(O)c3)cc(=O)c2c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3401031
Phase Preclinical
Structure Type MOL
InChI Key XJRUMVMLCXYKTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
3.19
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O6
MW 328.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.09

Literature References

PubMed DOI Target Context # Activities
25724825 10.1016/j.bmcl.2015.02.015 Acetylcholinesterase 2
25724825 10.1016/j.bmcl.2015.02.015 No relevant target 1
25724825 10.1016/j.bmcl.2015.02.015 Amyloid-beta precursor protein 1
25724825 10.1016/j.bmcl.2015.02.015 Cholinesterase 1
25614117 10.1016/j.bmc.2015.01.005 Acetylcholinesterase 1
25614117 10.1016/j.bmc.2015.01.005 Unchecked 1
25614117 10.1016/j.bmc.2015.01.005 No relevant target 1
25614117 10.1016/j.bmc.2015.01.005 PC-12 1

Data from ChEMBL 36 via Core Engine