Compound Detail
CHEMBL5072262
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
CCOC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@@H](c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5072262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHZYGSCCYQLHKJ-WOZUAGRISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
3.27
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 7.82 | 7.7367 | 15.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 15.0 | nM | 7.82 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 15.0 | nM | 7.82 | Measurement of Orexin Type 2 Receptor Agonist Activity: Chinese hamster ovary (C... | - |
| Orexin receptor type 2 | EC50 | = | 27.0 | nM | 7.57 | 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 |
| 35295087 | 10.1021/acsmedchemlett.1c00626 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine