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Compound Detail

CHEMBL155606

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CN(c1ccncc1)n1ccc(C=O)c1

Basic Information

ChEMBL ID CHEMBL155606
Phase Preclinical
Structure Type MOL
InChI Key BIYQWVBDNXLOCF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
1.60
ALogP
4
HBA
0
HBD
38.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11N3O
MW 201.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 4.48 4.48 33000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8558530 10.1021/jm950644v Mus musculus 6
8558530 10.1021/jm950644v Muscarinic acetylcholine receptor 2

Data from ChEMBL 36 via Core Engine