Compound Detail
CHEMBL5197651
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N=C(N)NCCC[C@H](NC(=O)[C@H]1CSSC[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)N)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 | CHEMBL5197651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLQOVPAFVSHLGV-BQTQQGKUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1570.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha9/alpha10 CHEMBL3038462 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha9/alpha10 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of rat nAChR alpha9alpha10 expressed in Xenopus laevis oocytes holdin... | 35660515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35660515 | 10.1016/j.bmcl.2022.128806 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
| 35660515 | 10.1016/j.bmcl.2022.128806 | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
Data from ChEMBL 36 via Core Engine