Compound Detail
CHEMBL4787509
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Basic Information
| ChEMBL ID | CHEMBL4787509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUXCEDALJGNUSQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.95
ALogP
5
HBA
0
HBD
49.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 4.83 | 4.83 | 14791.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.44 | 4.44 | 36307.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin/Hypocretin receptor type 1 | Ki | = | 14791.08 | nM | 4.83 | Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells... | 32977721 |
| Unchecked | Ki | = | 36307.81 | nM | 4.44 | 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 |
| 32977721 | 10.1021/acs.jmedchem.0c00964 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine