Compound Detail
CHEMBL328323
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Basic Information
| ChEMBL ID | CHEMBL328323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QULUBEZVAACGFX-MRVPVSSYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
2.25
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.96
Ki 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.38 | 4.38 | 41500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Ki | = | 5.11 | nM | 8.29 | Tested for neuronal nicotinic acetylcholine receptor (nAChR) binding in a whole ... | - |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 11000.0 | nM | 4.96 | Tested for functional activity against neuronal nicotinic acetylcholine receptor... | - |
| Unchecked | EC50 | = | 41500.0 | nM | 4.38 | Tested for functional activity against neuronal nicotinic acetylcholine receptor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10080-4 | Unchecked | 2 |
| - | 10.1016/S0960-894X(97)10080-4 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| - | 10.1016/S0960-894X(97)10080-4 | Neuronal acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine