Compound Detail
CHEMBL337159
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Basic Information
| ChEMBL ID | CHEMBL337159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWNBSXQBPQACGE-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.19
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory concentration against human orexin-2 receptor (hOX2R) | 14643355 |
| Orexin receptor type 2 | IC50 | = | 1400.0 | nM | 5.85 | Antagonist activity at human OX2 receptor | 19199652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643355 | 10.1016/j.bmcl.2003.08.038 | Orexin/Hypocretin receptor type 1 | 1 |
| 14643355 | 10.1016/j.bmcl.2003.08.038 | Orexin receptor type 2 | 1 |
| 19199652 | 10.1021/jm801296d | Orexin/Hypocretin receptor type 1 | 1 |
| 19199652 | 10.1021/jm801296d | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine