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Compound Detail

CHEMBL5077034

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COc1cc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5077034
Phase Preclinical
Structure Type MOL
InChI Key QUNPSXVJJSLAKJ-INIZCTEOSA-O
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.03
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26NO4+
MW 344.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.54

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