Compound Detail
CHEMBL3103187
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3103187 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JPRBZUXULYLVPJ-ZSWXWWQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1749.0
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 1250.0 | nM | 5.9 | Agonist activity at human OX2 receptor overexpressed in CHO-RD-HGA16 cells asses... | 24707347 |
| Orexin/Hypocretin receptor type 1 | EC50 | = | 1900.0 | nM | 5.72 | Agonist activity at human OX1 receptor overexpressed in CHO-RD-HGA16 cells asses... | 24707347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24707347 | 10.1021/ml400333a | Orexin receptor type 2 | 1 |
| 24707347 | 10.1021/ml400333a | Unchecked | 1 |
| 24707347 | 10.1021/ml400333a | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine