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

CHEMBL73637

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(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCN2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL73637
Phase Preclinical
Structure Type MOL
InChI Key YCTWZDMIQMYEFZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
6.12
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.40
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 C30H34N2O
MW 438.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.92

Activity Summary

IC50 2 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL3199
 IC50 7.17 7.17 68.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 68.0 nM 7.17 Inhibition concentration against rat acetylcholinesterase 7932538
Acetylcholinesterase IC50 = 68.0 nM 7.17 Inhibition of acetylcholinesterase (AChE) 8057278

Literature References

PubMed DOI Target Context # Activities
8057278 10.1021/jm00041a007 Rattus norvegicus 6
7932538 10.1021/jm00045a020 Acetylcholinesterase 1
8057278 10.1021/jm00041a007 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine