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

CHEMBL32966

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
CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)C1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL32966
Phase Preclinical
Structure Type MOL
InChI Key MCAQWHWWQNEHOE-QWAKEFERSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
4.26
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H32N2O2
MW 344.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.57

Activity Summary

IC50 1 meas. best 6.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
 IC50 6.94 6.94 114.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 114.0 nM 6.94 In vitro inhibitory activity against human AchE (Acetylcholinesterase) 1573636

Literature References

PubMed DOI Target Context # Activities
1573636 10.1021/jm00086a011 Acetylcholinesterase 1
1573636 10.1021/jm00086a011 Mus musculus 1

Data from ChEMBL 36 via Core Engine