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Compound Detail

CHEMBL5087459

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COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5087459
Phase Preclinical
Structure Type MOL
InChI Key PPVUSMLJRNSLLF-KRWDZBQOSA-O
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
3.33
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28NO4+
MW 358.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.36

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34910498 10.1021/acs.jnatprod.1c00980 Acetylcholinesterase 4
34910498 10.1021/acs.jnatprod.1c00980 Cholinesterase 2

Data from ChEMBL 36 via Core Engine