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Compound Detail

CHEMBL1202152

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C[N+](C)(C)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1.[Br-].[Br-]

Basic Information

ChEMBL ID CHEMBL1202152
Phase Preclinical
Structure Type MOL
InChI Key ARZDFCDMGLGYPJ-JYFUHLDJSA-L
Parent Compound CHEMBL32278
Active Moiety CHEMBL32278
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
3.93
ALogP
2
HBA
0
HBD
25.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25Br2Cl2N3O
MW 542.14
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.50

Activity Summary

EC50 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL4781
EC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8182702 10.1021/jm00036a008 Muscarinic acetylcholine receptor M2 3
8182702 10.1021/jm00036a008 No relevant target 1

Data from ChEMBL 36 via Core Engine