Compound Detail
CHEMBL5079059
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](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL5079059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOSMUHDSEBWHLG-IIIOAANCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
3566.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | EC50 | 10.17 | 10.17 | 0.1 | 1 |
| Orexin receptor type 2 CHEMBL4792 | EC50 | 9.74 | 9.74 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | EC50 | = | 0.068 | nM | 10.17 | Agonist activity at human OX1R expressed in CHO-K1 cells by FLIPR calcium flux a... | 35295087 |
| Orexin receptor type 2 | EC50 | = | 0.18 | nM | 9.74 | Agonist activity at human OX2R expressed in CHO-K1 cells by FLIPR calcium flux a... | 35295087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35295087 | 10.1021/acsmedchemlett.1c00626 | Orexin receptor type 2 | 1 |
| 35295087 | 10.1021/acsmedchemlett.1c00626 | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine