Compound Detail
CHEMBL5411178
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[3H]CC([3H])C(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5411178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJZDTDUMJIUCEP-OFIGZBQTSA-N |
| Parent Compound | CHEMBL5499142 |
| Active Moiety | CHEMBL5499142 |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1762.1
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.41
Kd 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 9.41 | 8.766 | 0.4 | 5 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | Kd | 9.17 | 8.59 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 0.389 | nM | 9.41 | Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3... | 37773891 |
| Neuropeptide Y receptor type 4 | Ki | = | 0.39 | nM | 9.41 | Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3... | 37773891 |
| Neuropeptide Y receptor type 4 | Kd | = | 0.67 | nM | 9.17 | Binding affinity to human Y4R under sodium free condition | 37773891 |
| Neuropeptide Y receptor type 4 | Ki | = | 0.87 | nM | 9.06 | Binding affinity to human Y4R under hypotonic sodium free condition | 37773891 |
| Neuropeptide Y receptor type 4 | Kd | = | 9.8 | nM | 8.01 | Binding affinity to human Y4R under 140 mM sodium condition | 37773891 |
| Neuropeptide Y receptor type 4 | Ki | = | 10.23 | nM | 7.99 | Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3... | 37773891 |
| Neuropeptide Y receptor type 4 | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3... | 37773891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37773891 | 10.1021/acs.jmedchem.3c01224 | Neuropeptide Y receptor type 4 | 7 |
Data from ChEMBL 36 via Core Engine