Compound Detail
CHEMBL3770745
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Basic Information
| ChEMBL ID | CHEMBL3770745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOFCXQHIUXUAQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.32
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Orexin receptor type 2 CHEMBL4792 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | IC50 | = | 13.0 | nM | 7.89 | Antagonist activity at OX1R (unknown origin) | 26317591 |
| Orexin receptor type 2 | IC50 | = | 18.0 | nM | 7.75 | Antagonist activity at OX2R (unknown origin) | 26317591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26317591 | 10.1021/acs.jmedchem.5b00832 | Orexin receptor type 2 | 1 |
| 26317591 | 10.1021/acs.jmedchem.5b00832 | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine