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Compound Detail

CHEMBL78262

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CC(=O)N(C)C(C)C#CCn1cncc1C

Basic Information

ChEMBL ID CHEMBL78262
Phase Preclinical
Structure Type MOL
InChI Key URDOSWCAZYOAJH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
1.06
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.70
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 C12H17N3O
MW 219.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.71

Activity Summary

Ki 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
Ki 8.0 7.37 10.0 2

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 3

Data from ChEMBL 36 via Core Engine