Compound Detail
CHEMBL512778
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Basic Information
| ChEMBL ID | CHEMBL512778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZUIDOQANHQPGL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
4.65
ALogP
5
HBA
0
HBD
54.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 42.0 | nM | 7.38 | Binding affinity to OX2 receptor | 19406641 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 51.0 | nM | 7.29 | Binding affinity to OX1 receptor | 19406641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19406641 | 10.1016/j.bmcl.2009.04.026 | Orexin/Hypocretin receptor type 1 | 1 |
| 19406641 | 10.1016/j.bmcl.2009.04.026 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine