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

CHEMBL5409526

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
CN(C)CCCN1C(=O)CSC1c1ccccn1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5409526
Phase Preclinical
Structure Type MOL
InChI Key PXKIZYBJBXKWAI-UHFFFAOYSA-N
Parent Compound CHEMBL5499359
Active Moiety CHEMBL5499359
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
1.61
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20ClN3OS
MW 301.84
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.49

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
37094110 10.1021/acs.jmedchem.3c00234 Acetylcholinesterase 2
37094110 10.1021/acs.jmedchem.3c00234 Unchecked 2

Data from ChEMBL 36 via Core Engine