Compound Detail
CHEMBL5192422
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N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5192422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJJSBEHWEBTNKF-VFWMWCIBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1574.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha9/alpha10 CHEMBL3038462 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Neuronal acetylcholine receptor; alpha9/alpha10 CHEMBL2109238 | IC50 | 6.31 | 6.305 | 494.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nicotinic acetylcholine receptor alpha9/alpha10 | IC50 | = | 1.5 | nM | 8.82 | Antagonist activity at rat alpha9alpha10 nACh receptor expressed in Xenopus oocy... | 37464764 |
| Neuronal acetylcholine receptor; alpha9/alpha10 | IC50 | = | 494.0 | nM | 6.31 | Antagonist activity at human alpha9alpha10 nACh receptor expressed in Xenopus oo... | 37464764 |
| Neuronal acetylcholine receptor; alpha9/alpha10 | IC50 | = | 500.0 | nM | 6.3 | Antagonist activity at human alpha9alpha10 nAChR expressed in Xenopus laevis ooc... | 36137181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36137181 | 10.1021/acs.jmedchem.2c00494 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Nicotinic acetylcholine receptor alpha9/alpha10 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Neuronal acetylcholine receptor; alpha9/alpha10 | 1 |
| 37464764 | 10.1021/acs.jmedchem.3c01023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine