Compound Detail
CHEMBL186295
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Basic Information
| ChEMBL ID | CHEMBL186295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHBRUUSJRCHUBZ-VIFPVBQESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
170.3
MW (Da)
1.49
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.28 | 6.28 | 520.0 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.31 | 4.31 | 49000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 520.0 | nM | 6.28 | Inhibition of [3H]epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine ... | 15501049 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 520.0 | nM | 6.28 | Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membranes... | 20932609 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 49000.0 | nM | 4.31 | Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylchol... | 15501049 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 49000.0 | nM | 4.31 | Displacement of [125I]-alpha-Bungarotoxin from alpha7 nAChR rat cortical membran... | 20932609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501049 | 10.1016/j.bmcl.2004.09.044 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 15501049 | 10.1016/j.bmcl.2004.09.044 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 15501049 | 10.1016/j.bmcl.2004.09.044 | Muscarinic acetylcholine receptor | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 20932609 | 10.1016/j.ejmech.2010.09.009 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine