Compound Detail
CHEMBL142009
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Basic Information
| ChEMBL ID | CHEMBL142009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFVZFLCAOUMJT-OAQYLSRUSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
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 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | IC50 | 7.4 | 7.4 | 40.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against human orexin-2 receptor (hOX2R) | 14643355 |
| Orexin receptor type 2 | IC50 | = | 40.0 | nM | 7.4 | Antagonist activity at human OX2 receptor | 19199652 |
| Orexin receptor type 2 | IC50 | = | 40.0 | nM | 7.4 | Binding affinity to orexin receptor 2 (unknown origin) | 23891187 |
| Orexin receptor type 2 | IC50 | = | 40.0 | nM | 7.4 | Antagonist activity at human OX2R | 38283232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19199652 | 10.1021/jm801296d | Unchecked | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 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 |
| 23891187 | 10.1016/j.bmcl.2013.06.057 | Orexin receptor type 2 | 1 |
| 23891187 | 10.1016/j.bmcl.2013.06.057 | Orexin/Hypocretin receptor type 1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38283232 | 10.1039/d3md00573a | Orexin receptor type 2 | 1 |
| 38283232 | 10.1039/d3md00573a | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine