Compound Detail
CHEMBL3786309
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CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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
Basic Information
| ChEMBL ID | CHEMBL3786309 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JGHPDOKJMQTPSY-NNVBHMPUSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1366.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.27
Ki 1 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 CHEMBL5952 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Neuropeptide FF receptor 2 CHEMBL5952 | Kd | 9.27 | 9.27 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide FF receptor 2 | Ki | = | 0.53 | nM | 9.28 | Displacement of [3H]EYE from human NPFF2 receptor expressed in CHO cell membrane... | 26824643 |
| Neuropeptide FF receptor 2 | Kd | = | 0.54 | nM | 9.27 | Binding affinity to human NPFF2 receptor expressed in CHO cell membranes after 1... | 26824643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26824643 | 10.1021/acs.jmedchem.5b01495 | Neuropeptide FF receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine