Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL539108

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O/N=C\c1cccc[n+]1COCCOC[n+]1ccccc1/C=N/O.[Cl-].[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL539108
Phase Preclinical
Structure Type MOL
InChI Key JGEAMARWMLEEIJ-UHFFFAOYSA-N
Parent Compound CHEMBL1189635
Active Moiety CHEMBL1189635
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
0.53
ALogP
6
HBA
2
HBD
91.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20Cl2N4O4
MW 403.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.22

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
2913310 10.1021/jm00122a034 Acetylcholinesterase 12
2913310 10.1021/jm00122a034 Mus musculus 5
2913310 10.1021/jm00122a034 No relevant target 2

Data from ChEMBL 36 via Core Engine