Compound Detail
CHEMBL2012935
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Basic Information
| ChEMBL ID | CHEMBL2012935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMCWWJUSOBWMFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.02
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 3900.0 | nM | 5.41 | Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK292 cells ... | 22410083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22410083 | 10.1016/j.bmcl.2012.02.052 | Neuronal acetylcholine receptor subunit alpha-7 | 3 |
| 22410083 | 10.1016/j.bmcl.2012.02.052 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 22410083 | 10.1016/j.bmcl.2012.02.052 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine