Compound Detail
CHEMBL274524
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Basic Information
| ChEMBL ID | CHEMBL274524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJMAXCRZQLWZFH-SSDOTTSWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
1.41
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.13 | 6.2333 | 7.4 | 3 |
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 6.48 | 6.48 | 333.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7.4 | nM | 8.13 | Binding affinity at CCR was determined by displacement of [3H]cytisine from rat ... | 7909335 |
| Neuronal acetylcholine receptor | Ki | = | 333.0 | nM | 6.48 | In vitro binding affinity to neuronal nAChRs was determined by measuring the dis... | 7799396 |
| Unchecked | Ki | = | 3400.0 | nM | 5.47 | Binding affinity at CCR was determined by displacement of [125I]- alpha-BgT from... | 7909335 |
| Unchecked | Ki | = | 8000.0 | nM | 5.1 | Binding affinity at CCR was determined by displacement of [3H]OXO-M from rat bra... | 7909335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7909335 | 10.1021/jm00034a002 | Unchecked | 4 |
| 7799396 | 10.1021/jm00052a005 | Neuronal acetylcholine receptor | 2 |
Data from ChEMBL 36 via Core Engine