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Compound Detail

CHEMBL1834812

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CC(=O)OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1834812
Phase Preclinical
Structure Type MOL
InChI Key IYUKVCGRCMQIPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.32
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.51
QED
0
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 C20H18O5
MW 338.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.43

Literature References

PubMed DOI Target Context # Activities
21939219 10.1021/np200308j Acetylcholinesterase 3

Data from ChEMBL 36 via Core Engine