Compound Detail
CHEMBL4522438
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CCC(=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 | CHEMBL4522438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJZDTDUMJIUCEP-NPVFWKKLSA-N |
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1762.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.49
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 9.49 | 8.9167 | 0.3 | 3 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 8.4 | 8.125 | 4.0 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 6.38 | 6.38 | 420.0 | 1 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 4 | 7 |
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 1 | 1 |
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 2 | 1 |
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine