Compound Detail
CHEMBL407217
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Basic Information
| ChEMBL ID | CHEMBL407217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUDXRNQPVSMGDW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
365.1
MW (Da)
5.36
ALogP
2
HBA
3
HBD
61.4
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.47 | 5.47 | 3400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 3400.0 | nM | 5.47 | Activity at alpha7 nACh receptor assessed as modulation of acetylcholine-induced... | 18198823 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 3400.0 | nM | 5.47 | Positive allosteric modulation of human alpha7 nAChR expressed in Xenopus laevis... | 34374537 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 3400.0 | nM | 5.47 | Type-1 positive allosteric modulation of human alpha7 nAChR expressed in xenopus... | 38393821 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18198823 | 10.1021/jm070256g | Rattus norvegicus | 2 |
| 31755711 | 10.1021/acs.jmedchem.9b01569 | ADMET | 2 |
| 18198823 | 10.1021/jm070256g | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 18198823 | 10.1021/jm070256g | Brain | 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