Compound Detail
CHEMBL327104
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Basic Information
| ChEMBL ID | CHEMBL327104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAFONDJFZVCZCU-NKUHCKNESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
200.3
MW (Da)
2.38
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 5.81 | 5.81 | 1540.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | Ki | 4.98 | 4.98 | 10500.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 4.32 | 4.32 | 47500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 1540.0 | nM | 5.81 | Binding affinity at rat brain Nicotinic acetylcholine receptor alpha4-beta2 | 12109907 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 10500.0 | nM | 4.98 | Binding affinity at rat brain Nicotinic acetylcholine receptor alpha3-beta4 | 12109907 |
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 47500.0 | nM | 4.32 | Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 | 12109907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109907 | 10.1021/jm020814l | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 12109907 | 10.1021/jm020814l | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 12109907 | 10.1021/jm020814l | Unchecked | 2 |
| 12109907 | 10.1021/jm020814l | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine