Compound Detail
CHEMBL1830964
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Basic Information
| ChEMBL ID | CHEMBL1830964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHZWYNZVBWJJCI-JOCHJYFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.92
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 31.62 | nM | 7.5 | Antagonist activity at recombinant human OX2R expressed in CHO cells by FLIPR ca... | 21831639 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 39.81 | nM | 7.4 | Antagonist activity at recombinant human OX1R 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