Compound Detail
CHEMBL3394846
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Basic Information
| ChEMBL ID | CHEMBL3394846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKBQHURCDKDCCN-IAGOWNOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.51
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Orexin receptor type 2 CHEMBL4792 | Ki | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 2 | Ki | = | 370.0 | nM | 6.43 | Antagonist activity at human OX2R by radioligand displacement assay | 25577040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25577040 | 10.1016/j.bmcl.2014.12.056 | Orexin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine