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

CHEMBL292440

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=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292440
Phase Preclinical
Structure Type MOL
InChI Key VFIHDJRABVIPMZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.63
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.48
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 C28H32N2O
MW 412.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL3198
 IC50 6.03 6.03 939.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 939.72 nM 6.03 Inhibition against Acetylcholinesterase (AChE) 8558505
Acetylcholinesterase IC50 = 940.0 nM 6.03 Inhibitory activity against mouse brain Acetylcholinesterase 2362265

Literature References

PubMed DOI Target Context # Activities
8558505 10.1021/jm950704x Acetylcholinesterase 1
2362265 10.1021/jm00169a008 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine