Compound Detail
CHEMBL513692
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Basic Information
| ChEMBL ID | CHEMBL513692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLPRAJRHRHZCQQ-OPRDCNLKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
208.7
MW (Da)
2.34
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.59 | 10.59 | 0.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.026 | nM | 10.59 | Displacement of [3H]-epibatidine from alpha4beta2 nAChR in rat cerebral cortex h... | 26233800 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 7.6 | nM | 8.12 | Binding affinity to alpha4beta2 nAChR | 18644719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26233800 | 10.1016/j.bmc.2015.07.021 | Mus musculus | 4 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 18644719 | 10.1016/j.bmcl.2008.07.016 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine