Compound Detail
CHEMBL331904
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Basic Information
| ChEMBL ID | CHEMBL331904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLZCOYDOFRTTHF-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
136.2
MW (Da)
1.14
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.27
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 6.27 | 6.27 | 540.0 | 3 |
| Neuronal acetylcholine receptor CHEMBL2094110 | Ki | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 540.0 | nM | 6.27 | Affinity for nicotinic acetylcholine receptor alpha4-beta2 | 15203136 |
| Neuronal acetylcholine receptor | Ki | = | 540.0 | nM | 6.27 | The binding affinity towards nicotinic acetylcholine receptor | 12361399 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 540.0 | nM | 6.27 | Binding affinity towards nicotinic acetylcholine receptor alpha4-beta2 from rat ... | 14698195 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 540.0 | nM | 6.27 | Affinity to alpha-4-beta-2 AChR | 16412637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.20.33 | Acetylcholine receptor subunit alpha | 2 |
| 15203136 | 10.1016/j.bmcl.2004.05.020 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 12361399 | 10.1021/jm020188s | Neuronal acetylcholine receptor | 1 |
| 14698195 | 10.1016/j.bmcl.2003.10.033 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16412637 | 10.1016/j.bmcl.2005.12.073 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| - | 10.1584/jpestics.17.4_231 | No relevant target | 1 |
| - | 10.1584/jpestics.17.4_231 | Unchecked | 1 |
| - | 10.1584/jpestics.17.4_231 | Nicotinic acetylcholine receptor alpha 5 subunit | 1 |
| - | 10.1584/jpestics.17.4_231 | Acetylcholinesterase | 1 |
| - | 10.1584/jpestics.17.4_231 | Musca domestica | 1 |
Data from ChEMBL 36 via Core Engine