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Compound Detail

CHEMBL78304

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COC(=O)N(C)C(C)C#CCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL78304
Phase Preclinical
Structure Type MOL
InChI Key IUFKECYRCCVLGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

198.3
MW (Da)
0.64
ALogP
3
HBA
0
HBD
32.8
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 C10H18N2O2
MW 198.27
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.29

Activity Summary

Ki 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 16.0 nM 7.8 Binding affinity to muscarinic acetylcholine receptor was determined in presence... 1875333

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