Compound Detail
CHEMBL194083
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Basic Information
| ChEMBL ID | CHEMBL194083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPQDDDUPSPGGON-WOJBJXKFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.34
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 5.0 | nM | 8.3 | Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic ace... | 15808471 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 300.0 | nM | 6.52 | Potency against rat nicotinic acetylcholine alpha-7 subunit expressed in Xenopus... | 15808471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808471 | 10.1016/j.bmcl.2005.02.045 | Neuronal acetylcholine receptor subunit alpha-7 | 3 |
| 15808471 | 10.1016/j.bmcl.2005.02.045 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine