Compound Detail
CHEMBL1830968
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Basic Information
| ChEMBL ID | CHEMBL1830968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCZBQPUFKCYVDZ-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
5.17
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Orexin receptor type 2 CHEMBL4792 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 1.0 | nM | 9.0 | Antagonist activity at recombinant human OX1R expressed in CHO cells by FLIPR ca... | 21831639 |
| Orexin receptor type 2 | Ki | = | 5.012 | nM | 8.3 | 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