Compound Detail
CHEMBL50943
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Basic Information
| ChEMBL ID | CHEMBL50943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKWSMTVSHNRDGG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
1.76
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 6.87 | 6.3567 | 135.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 135.0 | nM | 6.87 | Binding affinity towards melatonin receptor in chicken brain. | 8627603 |
| Melatonin receptor | Ki | = | 789.0 | nM | 6.1 | Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal... | 8411005 |
| Melatonin receptor | Ki | = | 789.0 | nM | 6.1 | Binding affinity towards melatonin receptor in Chicken retinal membranes | 8627603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411005 | 10.1021/jm00072a008 | Melatonin receptor | 2 |
| 8627603 | 10.1021/jm9508189 | Melatonin receptor | 2 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine