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Compound Detail

CHEMBL74264

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CN(C)CC#CCn1ccn(C)c1=O

Basic Information

ChEMBL ID CHEMBL74264
Phase Preclinical
Structure Type MOL
InChI Key KVZBWSPZGIYQFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
-0.25
ALogP
4
HBA
0
HBD
30.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H15N3O
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.96

Activity Summary

Ki 1 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 7.43 7.43 37.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1875333 10.1021/jm00112a002 Mus musculus 6
1875333 10.1021/jm00112a002 Muscarinic acetylcholine receptor 2

Data from ChEMBL 36 via Core Engine