Compound Detail
CHEMBL4581256
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CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=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](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4581256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUSKRNBCFWEDGT-DSCYDBDCSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1590.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.92
EC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 6.8 | 6.67 | 160.0 | 2 |
| Neuropeptide Y receptor type 5 CHEMBL4561 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 4 | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H](2R,7R)-10 from human NPY Y4 receptor expressed in CHO cells... | 27223253 |
| Neuropeptide Y receptor type 4 | EC50 | = | 160.0 | nM | 6.8 | Agonist activity at human NPY Y4 receptor expressed in HEK293 cells co-expressin... | 27223253 |
| Neuropeptide Y receptor type 5 | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]propionyl-pNPY from human NPY Y5 receptor expressed in human... | 27223253 |
| Neuropeptide Y receptor type 4 | EC50 | = | 290.0 | nM | 6.54 | Agonist activity at human NPY Y4 receptor expressed in CHO cells co-expressing G... | 27223253 |
| Neuropeptide Y receptor type 1 | Ki | = | 1400.0 | nM | 5.85 | Displacement of [3H]UR-MK136 from human NPY Y1 receptor expressed in human MCF7 ... | 27223253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27223253 | 10.1021/acs.jmedchem.6b00309 | Neuropeptide Y receptor type 4 | 5 |
| 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