Compound Detail
CHEMBL2381570
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Basic Information
| ChEMBL ID | CHEMBL2381570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPUSMQXNPXCRTA-LBPRGKRZSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.52
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.55
Ki 1 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.09 | 8.09 | 8.1 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | IC50 | 7.55 | 6.3033 | 28.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 8.1 | nM | 8.09 | Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human... | 23561269 |
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 28.4 | nM | 7.55 | Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human... | 23561269 |
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 1020.0 | nM | 5.99 | Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in ... | 23561269 |
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 4300.0 | nM | 5.37 | Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in X... | 23561269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23561269 | 10.1016/j.bmc.2013.03.024 | Neuronal acetylcholine receptor; alpha4/beta2 | 5 |
| 23561269 | 10.1016/j.bmc.2013.03.024 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 23561269 | 10.1016/j.bmc.2013.03.024 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | 1 |
Data from ChEMBL 36 via Core Engine