Compound Detail
CHEMBL420156
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Basic Information
| ChEMBL ID | CHEMBL420156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHJDMHSBBRFVQT-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.82
ALogP
3
HBA
0
HBD
20.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | IC50 | 6.89 | 6.8267 | 130.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 946.01 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 65.0 | nM | 7.19 | Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine re... | 15801858 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 130.0 | nM | 6.89 | Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells | 15203161 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 150.0 | nM | 6.82 | Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells | 15203161 |
| Neuronal acetylcholine receptor subunit alpha-7 | IC50 | = | 170.0 | nM | 6.77 | Alpha 7 nicotinic acetylcholine receptor binding activity in PC12 cells | 15203161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15203161 | 10.1016/j.bmcl.2004.04.091 | Neuronal acetylcholine receptor subunit alpha-7 | 3 |
| 15203161 | 10.1016/j.bmcl.2004.04.091 | Rattus norvegicus | 1 |
| 15801858 | 10.1021/jm049188d | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
Data from ChEMBL 36 via Core Engine