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Compound Detail

CHEMBL340382

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CN(CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340382
Phase Preclinical
Structure Type MOL
InChI Key XLWOWJSCZJJFOR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
3.97
ALogP
4
HBA
0
HBD
66.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3O3
MW 381.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL3198
 IC50 4.85 4.85 13995.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 13995.87 nM 4.85 Inhibition against Acetylcholinesterase (AChE) 8558505

Literature References

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

Data from ChEMBL 36 via Core Engine