Compound Detail
CHEMBL82954
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Basic Information
| ChEMBL ID | CHEMBL82954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXVAMDODEUJKKK-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
1.79
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 19.9 | nM | 7.7 | Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H](-)-cyt... | 9871663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871663 | 10.1016/s0960-894x(98)00019-5 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine