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Compound Detail

CHEMBL154455

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CC(C#CCN1CCCC1)N(C)C(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154455
Phase Preclinical
Structure Type MOL
InChI Key UECJYWWGFQYNFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
1.49
ALogP
2
HBA
0
HBD
23.6
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 C12H17F3N2O
MW 262.27
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.93

Activity Summary

Kd 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL2094109
 Kd 6.24 6.24 570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Kd = 570.0 nM 6.24 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