Compound Detail
CHEMBL4207076
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CC[C@@](C)(NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4207076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHRSXPZRDGLRCX-GFAMYJKASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1810.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.96
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 9.96 | 9.96 | 0.1 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | EC50 | = | 0.11 | nM | 9.96 | Agonist activity at human neuropeptide Y2 receptor expressed in CHO cell membran... | 28917449 |
| Neuropeptide Y receptor type 2 | IC50 | = | 0.3 | nM | 9.52 | Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO ... | 28917449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28917449 | 10.1016/j.bmc.2017.08.044 | Mus musculus | 9 |
| 28917449 | 10.1016/j.bmc.2017.08.044 | Neuropeptide Y receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine