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

CHEMBL2058982

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=CC12CCN(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2058982
Phase Preclinical
Structure Type MOL
InChI Key WXBOQMNNKKHSNI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.83
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O2
MW 349.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL3199
 IC50 6.13 6.13 749.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 749.0 nM 6.13 Inhibition of AChE in Wistar rat brain homogenate using acetylthiocholine iodide... 22831800

Literature References

PubMed DOI Target Context # Activities
22831800 10.1016/j.bmc.2012.06.048 Acetylcholinesterase 2
22831800 10.1016/j.bmc.2012.06.048 Butyrylcholinesterase 2
22831800 10.1016/j.bmc.2012.06.048 Unchecked 1

Data from ChEMBL 36 via Core Engine