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Compound Detail

CHEMBL306594

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FC(F)(F)c1cccc(OC[C@@H]2CCCN2)c1

Basic Information

ChEMBL ID CHEMBL306594
Phase Preclinical
Structure Type MOL
InChI Key YEAKCSLTUFOIOL-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.2
MW (Da)
2.84
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14F3NO
MW 245.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.73

Activity Summary

Ki 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-10
CHEMBL3461
Ki 6.28 6.28 523.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00416-7 Neuronal acetylcholine receptor subunit alpha-10 1

Data from ChEMBL 36 via Core Engine