Compound Detail
CHEMBL3747105
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Basic Information
| ChEMBL ID | CHEMBL3747105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CODZVLVSXQWNPO-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3747912 |
| Active Moiety | CHEMBL3747912 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.4
MW (Da)
2.23
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-9 CHEMBL2184 | EC50 | 6.43 | 6.43 | 368.0 | 1 |
| Neuronal acetylcholine receptor; alpha9/alpha10 CHEMBL2109238 | EC50 | 5.59 | 5.59 | 2570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-9 | EC50 | = | 368.0 | nM | 6.43 | Agonist activity at alpha9 nAChR (unknown origin) | 38748608 |
| Neuronal acetylcholine receptor; alpha9/alpha10 | EC50 | = | 2570.0 | nM | 5.59 | Agonist activity at alpha9alpha10 nAChR (unknown origin) | 38748608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26707847 | 10.1016/j.bmc.2015.12.017 | Neuronal acetylcholine receptor subunit alpha-7 | 4 |
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Neuronal acetylcholine receptor; alpha9/alpha10 | 2 |
| 38748608 | 10.1021/acs.jmedchem.3c02429 | Neuronal acetylcholine receptor subunit alpha-9 | 1 |
Data from ChEMBL 36 via Core Engine