Compound Detail
CHEMBL227456
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](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](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL227456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WINDOIBEGFZUKU-DVERMALCSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1737.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Ki 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 8.52 | 8.52 | 3.0 | 2 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | Ki | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide Y receptor type 2 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human NPY2 by [35S]GTPgammaS cAMP accumulation assay | 17425299 |
| Neuropeptide Y receptor type 2 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human NPY2 receptor expressed in human KAN-TS cells by [35S]... | 17055726 |
| Neuropeptide Y receptor type 2 | Ki | = | 4.0 | nM | 8.4 | Displacement of [125I]PYY from human NPY2 | 17425299 |
| Neuropeptide Y receptor type 2 | Ki | = | 4.0 | nM | 8.4 | Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cel... | 17055726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17425299 | 10.1021/jm061454v | Mus musculus | 4 |
| 17425299 | 10.1021/jm061454v | Neuropeptide Y receptor type 2 | 2 |
| 17055726 | 10.1016/j.bmcl.2006.10.007 | Neuropeptide Y receptor type 2 | 2 |
| 17425299 | 10.1021/jm061454v | Neuropeptide Y receptor type 1 | 1 |
| 17425299 | 10.1021/jm061454v | Neuropeptide Y receptor type 5 | 1 |
| 17055726 | 10.1016/j.bmcl.2006.10.007 | Neuropeptide Y receptor type 5 | 1 |
| 17055726 | 10.1016/j.bmcl.2006.10.007 | Neuropeptide Y receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine