Compound Detail
CHEMBL412119
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Basic Information
| ChEMBL ID | CHEMBL412119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIZWDJIHABLBSP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.31
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.89 | 5.5375 | 1300.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 1300.0 | nM | 5.89 | Activity at human alpha-7 nACh receptor expressed in Xenopus laevis oocyte asses... | 18198823 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 3162.28 | nM | 5.5 | Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis... | 34374537 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 3162.28 | nM | 5.5 | Type-II positive allosteric modulation of alpha7 nAChR (unknown origin) expresse... | 38393821 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 5500.0 | nM | 5.26 | Positive allosteric modulation at human alpha7 nACHR expressed in Xenopus oocyte... | 25232969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25232969 | 10.1016/j.ejmech.2014.09.039 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 18198823 | 10.1021/jm070256g | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 34374537 | 10.1021/acs.jmedchem.1c01058 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 38393821 | 10.1021/acs.jmedchem.3c02323 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine