Compound Detail
CHEMBL606669
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Basic Information
| ChEMBL ID | CHEMBL606669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZOBPXOJOUBLHR-KPPDAEKUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
1.43
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL2109234 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta2 | EC50 | = | 13.0 | nM | 7.89 | Effective concentration against Nicotinic acetylcholine receptor alpha3-beta2 | 16033252 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 320.0 | nM | 6.5 | Effective concentration against Nicotinic acetylcholine receptor alpha4-beta2 | 16033252 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 25000.0 | nM | 4.6 | Effective concentration against Nicotinic acetylcholine receptor alpha 7 | 16033252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141087 | 10.1021/jm000949w | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 11141087 | 10.1021/jm000949w | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 11141087 | 10.1021/jm000949w | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 11141087 | 10.1021/jm000949w | Rattus norvegicus | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine