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

CHEMBL361866

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
CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361866
Phase Preclinical
Structure Type MOL
InChI Key ABFFFWWNVUNIQI-VVZHRXSXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.6
MW (Da)
4.35
ALogP
4
HBA
1
HBD
39.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N3O
MW 403.57
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.16

Activity Summary

IC50 1 meas. best 4.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL3199
 IC50 4.18 4.18 66450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 66450.0 nM 4.18 Inhibitory concentration against acetylcholinesterase from rat cortex homogenate... 15664805

Literature References

PubMed DOI Target Context # Activities
15664805 10.1016/j.bmcl.2004.11.060 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine