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Compound Detail

CHEMBL306293

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CCN1CCC[C@H]1COc1ccccc1

Basic Information

ChEMBL ID CHEMBL306293
Phase Preclinical
Structure Type MOL
InChI Key UOUQAXWFJSPWFL-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
2.55
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.75
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 C13H19NO
MW 205.30
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.71

Activity Summary

Ki 1 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-10
CHEMBL3461
Ki 5.29 5.29 5166.0 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