Compound Detail
CHEMBL406906
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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL406906 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BGMUZBOFMKWKCS-AUGUZLKCSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1829.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 CHEMBL2109233 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha-6-alpha-... | 16033252 |
| Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha-6-alpha-... | 16033252 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha6-beta4; ... | 16033252 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha-6-alpha-... | 16033252 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta4; ... | 16033252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033252 | 10.1021/jm040219e | Unchecked | 3 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3 | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine