Compound Detail
CHEMBL3741978
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Basic Information
| ChEMBL ID | CHEMBL3741978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMYZYCPBPQRRCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
4.46
ALogP
5
HBA
0
HBD
76.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | Ki | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 1.995 | nM | 8.7 | Displacement of [3H]EMPA from human orexin receptor-2 expressed in HEK293 cells ... | - |
| Orexin/Hypocretin receptor type 1 | Ki | = | 50.12 | nM | 7.3 | Displacement of [3H]-4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00027K | Orexin receptor type 2 | 1 |
| - | 10.1039/C5MD00027K | Orexin/Hypocretin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine