Compound Detail
CHEMBL2409497
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Basic Information
| ChEMBL ID | CHEMBL2409497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRSAIDFRTZWWBE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
0.29
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.28
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membrane... | 23692872 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 5200.0 | nM | 5.28 | Agonist activity at alpha4beta2 nACHR in human SHEP1 cell membranes assessed as ... | 23692872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23692872 | 10.1016/j.bmcl.2013.04.058 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 23692872 | 10.1016/j.bmcl.2013.04.058 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 23692872 | 10.1016/j.bmcl.2013.04.058 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine