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Compound Detail

CHEMBL76321

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CN1CCC[C@H]1COc1cccc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL76321
Phase Preclinical
Structure Type MOL
InChI Key RYDARGVYUPMIDS-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
3.18
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.83
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 C13H16F3NO
MW 259.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.98

Activity Summary

Ki 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-10
CHEMBL3461
Ki 6.25 6.25 557.0 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