Compound Detail
CHEMBL5192028
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
COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1ccc2c(c1)C(N(C)C(=O)c1ccccc1)CCC2
Basic Information
| ChEMBL ID | CHEMBL5192028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXWBRGZMMQAYIG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
597.7
MW (Da)
6.01
ALogP
5
HBA
1
HBD
96.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | EC50 | 6.21 | 6.21 | 618.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | EC50 | = | 618.0 | nM | 6.21 | Agonist activity at OX2R (unknown origin) | 35051577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35051577 | 10.1016/j.bmcl.2022.128555 | Orexin/Hypocretin receptor type 1 | 2 |
| 35051577 | 10.1016/j.bmcl.2022.128555 | Orexin receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine