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Compound Detail

CHEMBL75644

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CCOC(=O)N(C)CC[C@@]12C=C[C@H](O)C[C@@H]1Oc1c(OC)ccc(C=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL75644
Phase Preclinical
Structure Type MOL
InChI Key JVIANMVESRMMMK-UVFQYZLESA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.31
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25NO6
MW 375.42
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.99

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12824041 10.1016/s0960-894x(03)00397-4 Cholinesterase 2
12824041 10.1016/s0960-894x(03)00397-4 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine