Compound Detail
CHEMBL1083281
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Basic Information
| ChEMBL ID | CHEMBL1083281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHDXZGSLWZLETO-YYLIZZNMSA-M |
| Parent Compound | CHEMBL1198840 |
| Active Moiety | CHEMBL1198840 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
2.18
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 10.18 | 10.18 | 0.1 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 0.066 | nM | 10.18 | Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate | 20472430 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 700.0 | nM | 6.16 | Displacement of [3H]cytisine from alpha4beta2 nACHR in rat brain homogenate | 20472430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20472430 | 10.1016/j.bmcl.2010.04.105 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 20472430 | 10.1016/j.bmcl.2010.04.105 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine