Compound Detail
CHEMBL4454036
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CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)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](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)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](C)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL4454036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEYZCVINENRTEZ-CACADROISA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2260.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.59
EC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 CHEMBL4777 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | EC50 | 8.17 | 8.17 | 6.8 | 1 |
| Neuropeptide Y receptor type 4 CHEMBL4877 | Ki | 6.76 | 6.76 | 173.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 1 | Ki | = | 0.257 | nM | 9.59 | Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T ce... | 32364733 |
| Neuropeptide Y receptor type 4 | EC50 | = | 6.761 | nM | 8.17 | Agonist activity at Y4R in human HEK293T cells assessed as increase in beta-arre... | 32364733 |
| Neuropeptide Y receptor type 4 | Ki | = | 173.78 | nM | 6.76 | Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y4R in human HEK293T ce... | 32364733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32364733 | 10.1021/acs.jmedchem.0c00027 | Neuropeptide Y receptor type 4 | 3 |
| 32364733 | 10.1021/acs.jmedchem.0c00027 | Neuropeptide Y receptor type 1 | 1 |
| 32364733 | 10.1021/acs.jmedchem.0c00027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine