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Compound Detail

CHEMBL177259

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O=C1CC2(CCc3ccccc32)C(=O)N1CC#CCN1CCCC1

Basic Information

ChEMBL ID CHEMBL177259
Phase Preclinical
Structure Type MOL
InChI Key UKLDWQAFHBMKNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
1.73
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.61
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 C20H22N2O2
MW 322.41
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.37

Activity Summary

Ki 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
Ki 5.8 5.8 1590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00143-1 Muscarinic acetylcholine receptor M1 1
- 10.1016/S0960-894X(97)00143-1 Muscarinic acetylcholine receptor M2 1
- 10.1016/S0960-894X(97)00143-1 Mus musculus 1

Data from ChEMBL 36 via Core Engine