Compound Detail
CHEMBL2151444
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Basic Information
| ChEMBL ID | CHEMBL2151444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OREHKCAJBKZGSF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
2.40
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 8.08 | 8.08 | 8.4 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 8.4 | nM | 8.08 | Binding affinity to alpha7 nAChR | 21919481 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 96.0 | nM | 7.02 | Binding affinity to alpha4beta2 nAChR | 21919481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 21919481 | 10.1021/jm2007672 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine