Compound Detail
CHEMBL5197631
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Basic Information
| ChEMBL ID | CHEMBL5197631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCXIROMSFPNTIA-QCTSMGTKSA-M |
| Parent Compound | CHEMBL5222204 |
| Active Moiety | CHEMBL5222204 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.47
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.73 | 7.73 | 18.6 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 6.93 | 6.93 | 117.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 6.83 | 6.83 | 147.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 18.6 | nM | 7.73 | Displacement of [3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK29... | 35834819 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 117.0 | nM | 6.93 | Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR expressed in SH... | 35834819 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 147.0 | nM | 6.83 | Displacement of [3H]-epibatidine from human alpha3beta4 nAChR expressed in SH-EP... | 35834819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 35834819 | 10.1021/acs.jmedchem.2c00746 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine