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Compound Detail

CHEMBL310961

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COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL310961
Phase Preclinical
Structure Type MOL
InChI Key OKXQJLKKLVCQDA-JDFRZJQESA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
1.78
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO4
MW 303.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 2.09

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