Compound Detail
CHEMBL3616556
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Basic Information
| ChEMBL ID | CHEMBL3616556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCAMFZAJXYGQOE-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
2.30
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.52 | 4.51 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 30000.0 | nM | 4.52 | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 c... | 26301559 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 31622.78 | nM | 4.5 | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 c... | 26301559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26301559 | 10.1016/j.ejmech.2015.07.024 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 26301559 | 10.1016/j.ejmech.2015.07.024 | Neuronal acetylcholine receptor; alpha4/beta4 | 2 |
| 26301559 | 10.1016/j.ejmech.2015.07.024 | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
Data from ChEMBL 36 via Core Engine