Compound Detail
CHEMBL2332279
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Basic Information
| ChEMBL ID | CHEMBL2332279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOAQDTZHQMIXOQ-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
4.16
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 6.7 | 6.5 | 200.0 | 3 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human alpha3beta4 nAChR expressed in CHO cells assessed as inhibit... | 23352509 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 398.11 | nM | 6.4 | Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO ... | 23352509 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 400.0 | nM | 6.4 | Non-competitive antagonist activity at human alpha3beta4 nAChR expressed in CHO ... | 23352509 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 1500.0 | nM | 5.82 | Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in CHO ce... | 23352509 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23352509 | 10.1016/j.bmcl.2012.12.054 | Neuronal acetylcholine receptor; alpha3/beta4 | 10 |
Data from ChEMBL 36 via Core Engine