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Compound Detail

CHEMBL3416504

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Cl.O=C1/C(=C/c2ccc(OCCCN3CCOCC3)cc2)COc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416504
Phase Preclinical
Structure Type MOL
InChI Key JTQDLYMESKXYBF-LSJACRKWSA-N
Parent Compound CHEMBL3546854
Active Moiety CHEMBL3546854
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.15
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.60
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 C23H26ClNO5
MW 431.92
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25969170 10.1016/j.ejmech.2015.04.055 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine