Compound Detail
CHEMBL5220229
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N=C(N)NCCC[C@H](NC(=O)[C@@H]1C/C=C\C[C@@H]2NC(=O)[C@@H](NC(=O)CN)CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC2=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5220229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZDAICIZSGDUTL-XPUURIDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1533.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha9/alpha10 CHEMBL3038462 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha9/alpha10 | IC50 | = | 1.47 | nM | 8.83 | Inhibition of rat alpha9alpha10 nAChR expressed in xenopus oocytes assessed as i... | 34142837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34142837 | 10.1021/acs.jmedchem.1c00512 | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
Data from ChEMBL 36 via Core Engine