Compound Detail
CHEMBL429557
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C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CS)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL429557 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LPYOFVQCAYSFSJ-ZPHNVFFWSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1561.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | IC50 | 9.12 | 9.12 | 0.8 | 2 |
| Neuronal acetylcholine receptor; alpha4/beta4 CHEMBL1907591 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Neuronal acetylcholine receptor; alpha2/beta4 CHEMBL2109230 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta2 CHEMBL2109234 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Neuronal acetylcholine receptor; alpha2/beta2 CHEMBL2109236 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta4 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha2/beta2 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha2/beta4 | 1 |
Data from ChEMBL 36 via Core Engine