Compound Detail
CHEMBL2114478
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Basic Information
| ChEMBL ID | CHEMBL2114478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNWAMMIACLCTHQ-AMDVSUOASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
169.2
MW (Da)
0.83
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | Ki | 4.62 | 4.62 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 24000.0 | nM | 4.62 | Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4... | 9622546 |
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 24000.0 | nM | 4.62 | The compound was evaluated for percentage inhibition of binding of [3H]- nicotin... | 9622546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9622546 | 10.1021/jm9705115 | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 9622546 | 10.1021/jm9705115 | Muscarinic acetylcholine receptor M1 | 2 |
Data from ChEMBL 36 via Core Engine