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Compound Detail

CHEMBL1202151

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Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCC[n+]2ccccc2)cc1.[Br-].[Br-]

Basic Information

ChEMBL ID CHEMBL1202151
Phase Preclinical
Structure Type MOL
InChI Key ZXWCSZPTIWALMB-OAITZSNASA-L
Parent Compound CHEMBL287536
Active Moiety CHEMBL287536
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
4.21
ALogP
2
HBA
0
HBD
29.4
PSA (Ų)
0.32
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 C21H21Br2Cl2N3O
MW 562.13
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.79

Activity Summary

EC50 1 meas. best 4.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL4781
EC50 4.68 4.68 21000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8182702 10.1021/jm00036a008 Muscarinic acetylcholine receptor M2 2

Data from ChEMBL 36 via Core Engine