Compound Detail
CHEMBL6334
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Basic Information
| ChEMBL ID | CHEMBL6334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPZLPAKJZIZIHZ-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
260.4
MW (Da)
0.95
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 46000.0 | nM | 4.34 | Binding affinity towards alpha4-beta2 measured by using the inhibition of [3H]NI... | 12467625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12467625 | 10.1016/s0960-894x(02)00849-1 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 12467625 | 10.1016/s0960-894x(02)00849-1 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine