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

CHEMBL302168

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)C1(C)CCN(CC)C2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302168
Phase Preclinical
Structure Type MOL
InChI Key GTJDKKGEHMPRJD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
5.17
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.65
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H34N2O2
MW 358.53
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
 IC50 6.8 6.8 159.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 159.0 nM 6.8 In vitro inhibitory activity against human acetylcholinesterase 8027982

Literature References

PubMed DOI Target Context # Activities
8027982 10.1021/jm00039a013 Mus musculus 3
8027982 10.1021/jm00039a013 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine