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

CHEMBL5567533

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
C[C@@H](c1cccc(OC(=O)NCCNc2c3c(nc4ccccc24)CCCC3)c1)N(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5567533
Phase Preclinical
Structure Type MOL
InChI Key WFWHZRVICIFCJX-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.94
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N4O2
MW 432.57
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
 IC50 6.6 6.6 252.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 252.47 nM 6.6 Inhibition of human erythrocyte AChE incubated for 10 mins 38157596

Literature References

PubMed DOI Target Context # Activities
38157596 10.1016/j.ejmech.2023.116071 Acetylcholinesterase 1
38157596 10.1016/j.ejmech.2023.116071 Cholinesterase 1
38157596 10.1016/j.ejmech.2023.116071 Unchecked 1

Data from ChEMBL 36 via Core Engine