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Compound Detail

CHEMBL1243232

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CCC(=O)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1

Basic Information

ChEMBL ID CHEMBL1243232
Phase Preclinical
Structure Type MOL
InChI Key AGKUUDUVMCFVHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
1.79
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N3O3
MW 345.44
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.57

Activity Summary

EC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL216
EC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20684563 10.1021/jm100697g Muscarinic acetylcholine receptor M1 2

Data from ChEMBL 36 via Core Engine