Compound Detail
CHEMBL1084012
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Basic Information
| ChEMBL ID | CHEMBL1084012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGUJDQNVLMZXLT-JGVFFNPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.1
MW (Da)
1.32
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | IC50 | 6.34 | 6.34 | 457.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 457.09 | nM | 6.34 | Displacement of [3H]epibatidine from rat alpha4beta2 nAChR | 20493692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20493692 | 10.1016/j.bmcl.2010.04.092 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine