Compound Detail
CHEMBL1194009
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Basic Information
| ChEMBL ID | CHEMBL1194009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGGDRYMPCVSLML-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
1.90
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.38 | 6.38 | 417.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.39 | 5.39 | 4070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 417.0 | nM | 6.38 | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR transfected in HEK293... | 25827398 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 4070.0 | nM | 5.39 | Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cell... | 25827398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25827398 | 10.1016/j.ejmech.2015.03.025 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 25827398 | 10.1016/j.ejmech.2015.03.025 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 25827398 | 10.1016/j.ejmech.2015.03.025 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine