Compound Detail
CHEMBL1765705
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CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL1765705 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | XBNIXBCJICZFRR-GYDKITGDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2182.5
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuropeptide S receptor CHEMBL5497 | EC50 | 8.97 | 8.97 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuropeptide S receptor | EC50 | = | 1.072 | nM | 8.97 | Agonist activity at mouse NPSR expressed in HEK293 cells assessed as induction o... | 21466221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21466221 | 10.1021/jm200138r | Neuropeptide S receptor | 3 |
Data from ChEMBL 36 via Core Engine