Compound Detail
CHEMBL3742402
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Basic Information
| ChEMBL ID | CHEMBL3742402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUERFEOXVHVFER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
3.77
ALogP
7
HBA
0
HBD
94.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 251.19 | nM | 6.6 | Displacement of [3H]EMPA from human orexin receptor-2 expressed in HEK293 cells ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00027K | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine