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Compound Detail

CHEMBL154627

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

Basic Information

ChEMBL ID CHEMBL154627
Phase Preclinical
Structure Type MOL
InChI Key DJCNRXDIKSJLFI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
1.12
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22N2O2
MW 238.33
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.38

Activity Summary

Kd 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL2094109
 Kd 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Kd = 1600.0 nM 5.8 Equilibrium dissociation constant muscarinic receptor complex, measured in guine... 3346873

Literature References

PubMed DOI Target Context # Activities
3346873 10.1021/jm00398a015 Cavia porcellus 1
3346873 10.1021/jm00398a015 Muscarinic acetylcholine receptor 1
3346873 10.1021/jm00398a015 Mus musculus 1

Data from ChEMBL 36 via Core Engine