Compound Detail
CHEMBL4590386
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Basic Information
| ChEMBL ID | CHEMBL4590386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIKWLYIDCILHAP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.65
ALogP
5
HBA
0
HBD
66.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 15.85 | nM | 7.8 | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-y... | 31860301 |
| Orexin/Hypocretin receptor type 1 | Ki | = | 79.43 | nM | 7.1 | Displacement of [3H]4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-y... | 31860301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31860301 | 10.1021/acs.jmedchem.9b01787 | Orexin/Hypocretin receptor type 1 | 1 |
| 31860301 | 10.1021/acs.jmedchem.9b01787 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine