Compound Detail
CHEMBL1830957
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
Basic Information
| ChEMBL ID | CHEMBL1830957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRBNJFFSLKIBKR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
403.3
MW (Da)
5.33
ALogP
3
HBA
0
HBD
53.3
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Orexin receptor type 2 CHEMBL4792 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 398.11 | nM | 6.4 | Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR ca... | 21831639 |
| Orexin receptor type 2 | Ki | = | 630.96 | nM | 6.2 | Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR ca... | 21831639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21831639 | 10.1016/j.bmcl.2011.06.086 | Orexin receptor type 2 | 1 |
| 21831639 | 10.1016/j.bmcl.2011.06.086 | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine