Compound Detail
CHEMBL439766
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Basic Information
| ChEMBL ID | CHEMBL439766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKTAGSRKQIGEBH-ZETCQYMHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
198.7
MW (Da)
1.48
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 10.47 | 10.435 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.034 | nM | 10.47 | Ability of compound to compete with 50 pM of 5-[125I]iodo-A-85,380 for receptor ... | 15115389 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 0.04 | nM | 10.4 | Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat br... | 9873625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115389 | 10.1021/jm030432v | No relevant target | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 15115389 | 10.1021/jm030432v | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 9873625 | 10.1016/s0960-894x(98)00504-6 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 9873625 | 10.1016/s0960-894x(98)00504-6 | Mus musculus | 1 |
| 9873625 | 10.1016/s0960-894x(98)00504-6 | IMR-32 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine