Compound Detail
CHEMBL1164116
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Basic Information
| ChEMBL ID | CHEMBL1164116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWWQXOCTMDBZHM-SDNWHVSQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
3.45
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 6.44 | 6.44 | 360.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.818 | nM | 8.55 | Displacement of radioligand from AChBp by scintillation counting | 20518527 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 360.0 | nM | 6.44 | Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membran... | 20236734 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 450.0 | nM | 6.35 | Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after ... | 20236734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20236734 | 10.1016/j.ejmech.2010.02.027 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 20236734 | 10.1016/j.ejmech.2010.02.027 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 20518527 | 10.1021/jm100230k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine