Compound Detail
CHEMBL57912
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Basic Information
| ChEMBL ID | CHEMBL57912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGHCCJIYQAMMPL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
180.2
MW (Da)
1.41
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 22.0 | nM | 7.66 | Binding affinity towards nicotinic acetylcholine receptor using [3H]nicotine as ... | 12113825 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 22.0 | nM | 7.66 | Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat ... | 14698195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12113825 | 10.1016/s0960-894x(02)00298-6 | Neuronal acetylcholine receptor | 1 |
| 14698195 | 10.1016/j.bmcl.2003.10.033 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16765047 | 10.1016/j.bmcl.2006.05.080 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine