Compound Detail
CHEMBL3360830
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CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL3360830 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UQGBICZACVFETI-QCFZGYDASA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1111.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.33
EC50 2 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 CHEMBL5952 | Ki | 9.33 | 9.215 | 0.5 | 2 |
| Neuropeptide FF receptor 2 CHEMBL5952 | EC50 | 8.57 | 8.57 | 2.7 | 1 |
| Neuropeptide FF receptor 1 CHEMBL5951 | Ki | 8.41 | 8.405 | 3.9 | 2 |
| Neuropeptide FF receptor 1 CHEMBL5951 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 | Ki | = | 0.47 | nM | 9.33 | Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1... | 25268943 |
| Neuropeptide FF receptor 2 | Ki | = | 0.8 | nM | 9.1 | Displacement of [125I]EYF from human NPFF2 receptor expressed in CHO cells after... | 25268943 |
| Neuropeptide FF receptor 2 | EC50 | = | 2.7 | nM | 8.57 | Agonist activity at human NPFF2 receptor | 25268943 |
| Neuropeptide FF receptor 1 | Ki | = | 3.85 | nM | 8.41 | Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after ... | 25268943 |
| Neuropeptide FF receptor 1 | Ki | = | 4.0 | nM | 8.4 | Displacement of [125I]YVP from human NPFF1 receptor expressed in CHO cells after... | 25268943 |
| Neuropeptide FF receptor 1 | EC50 | = | 71.0 | nM | 7.15 | Agonist activity at human NPFF1 receptor | 25268943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25268943 | 10.1021/jm500989n | Neuropeptide FF receptor 1 | 4 |
| 25268943 | 10.1021/jm500989n | Neuropeptide FF receptor 2 | 4 |
Data from ChEMBL 36 via Core Engine