Compound Detail
CHEMBL4776564
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4776564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPUWQMPKAYFUDA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
3.00
ALogP
6
HBA
3
HBD
119.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| 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/Hypocretin receptor type 1 CHEMBL5113 | Ki | 7.38 | 7.38 | 41.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.43 | 5.43 | 3715.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 41.69 | nM | 7.38 | Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells... | 32977721 |
| Unchecked | Ki | = | 3715.35 | nM | 5.43 | Displacement of [3H]-EMPA from human orexin 2 receptor expressed in CHO cells in... | 32977721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32977721 | 10.1021/acs.jmedchem.0c00964 | Orexin/Hypocretin receptor type 1 | 1 |
| 32977721 | 10.1021/acs.jmedchem.0c00964 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine