Compound Detail
CHEMBL5559353
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Basic Information
| ChEMBL ID | CHEMBL5559353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTEHGBJECQLMNQ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL6069369 |
| Active Moiety | CHEMBL6069369 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.02
ALogP
3
HBA
0
HBD
29.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-9 CHEMBL2184 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
| Neuronal acetylcholine receptor; alpha9/alpha10 CHEMBL2109238 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-9 | EC50 | = | 380.0 | nM | 6.42 | Agonist activity at human alpha9 nAChR expressed as xenopus laevis oocytes asses... | 38748608 |
| Neuronal acetylcholine receptor; alpha9/alpha10 | EC50 | = | 700.0 | nM | 6.16 | Agonist activity at human alpha9alpha10 nAChR expressed as xenopus laevis oocyte... | 38748608 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 1700.0 | nM | 5.77 | Partial agonist activity at human alpha7 nAChR expressed as xenopus laevis oocyt... | 38748608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Neuronal acetylcholine receptor subunit alpha-7 | 3 |
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Neuronal acetylcholine receptor subunit alpha-9 | 2 |
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Neuronal acetylcholine receptor; alpha9/alpha10 | 2 |
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine