Compound Detail
CHEMBL3786240
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Basic Information
| ChEMBL ID | CHEMBL3786240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHHHWOPNWZYRLT-AWEZNQCLSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.2
MW (Da)
2.53
ALogP
3
HBA
1
HBD
36.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.83
EC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 7.83 | 7.43 | 14.9 | 2 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 14.9 | nM | 7.83 | Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes | 26994846 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 93.6 | nM | 7.03 | Displacement of [3H]-MLA from human alpha7 nAChR expressed in xenopus oocytes in... | 26994846 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 1780.0 | nM | 5.75 | Agonist activity at human alpha7 nAChR expressed in xenopus oocytes preincubated... | 26994846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26994846 | 10.1016/j.ejmech.2016.03.016 | Neuronal acetylcholine receptor subunit alpha-7 | 4 |
Data from ChEMBL 36 via Core Engine