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Compound Detail

CHEMBL154062

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C#CCN(c1ccncc1)n1cccc1

Basic Information

ChEMBL ID CHEMBL154062
Phase Preclinical
Structure Type MOL
InChI Key LWBXLRXYQKVTRB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
1.79
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.70
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 C12H11N3
MW 197.24
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 5.05 4.585 9000.0 2

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