Compound Detail
CHEMBL4756829
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 | CHEMBL4756829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPEJLUMQANWQNM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.26
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.82 | 4.82 | 15135.6 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 4.61 | 4.61 | 24547.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 15135.61 | nM | 4.82 | Displacement of [3H]-EMPA from human orexin 2 receptor expressed in CHO cells in... | 32977721 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 24547.09 | nM | 4.61 | Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells... | 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