Compound Detail
CHEMBL11416
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Basic Information
| ChEMBL ID | CHEMBL11416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKDJHCNMGOZSAO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.09
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Ki 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | Ki | 7.86 | 7.86 | 13.9 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 13.9 | nM | 7.86 | Binding affinity against ovine pars tuberalis melatonin receptor using 2-[125I]-... | - |
| Melatonin receptor type 1A | IC50 | = | 15.85 | nM | 7.8 | Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin... | 9804685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00175-8 | Melatonin receptor | 2 |
| 9804685 | 10.1021/jm980026p | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine