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

CHEMBL51682

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
CC(C#CCN1CCCC1)N1CCCC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51682
Phase Preclinical
Structure Type MOL
InChI Key LVKGEHAPRFNGNI-UHFFFAOYSA-N
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
1.10
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N2O
MW 220.32
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness -0.74

Activity Summary

Ki 3 meas. best 8.96
Kd 2 meas. best 7.04
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 8.96 8.0133 1.1 3
Muscarinic acetylcholine receptor
CHEMBL2094109
 Kd 7.04 7.04 91.0 1
Muscarinic acetylcholine receptor M3
CHEMBL5498
 Kd 7.04 7.04 91.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 1.1 nM 8.96 Binding affinity to muscarinic acetylcholine receptor was determined in presence... 1875333
Muscarinic acetylcholine receptor Ki = 14.0 nM 7.85 Binding affinity to muscarinic acetylcholine receptor was determined in presence... 1875333
Muscarinic acetylcholine receptor Ki = 59.0 nM 7.23 Displacement of [3H]3-quinuclidinyl benzilate ([3H]-QNB) from muscarinic acetylc... 1507212
Muscarinic acetylcholine receptor M3 Kd = 91.0 nM 7.04 Dissociation constant for complex with muscarinic acetylcholine receptor M3 of g... 1507212
Muscarinic acetylcholine receptor Kd = 91.0 nM 7.04 Determination of dissociation constant from antimuscarinic activity on isolated ... 1732545

Literature References

PubMed DOI Target Context # Activities
1875333 10.1021/jm00112a002 Mus musculus 6
1507212 10.1021/jm00095a025 Muscarinic acetylcholine receptor M3 4
1875333 10.1021/jm00112a002 Muscarinic acetylcholine receptor 3
1507212 10.1021/jm00095a025 Muscarinic acetylcholine receptor 1
1732545 10.1021/jm00080a013 Muscarinic acetylcholine receptor 1
1732545 10.1021/jm00080a013 Mus musculus 1

Data from ChEMBL 36 via Core Engine