Compound Detail
CHEMBL3739824
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Basic Information
| ChEMBL ID | CHEMBL3739824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOXFKUKTMBOFKH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.53
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.05 | 7.825 | 9.0 | 2 |
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.05 | 7.86 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | Ki | = | 9.0 | nM | 8.05 | Displacement of 2-[125I]-iodomelatonin from human melatonin receptor MT1 express... | - |
| Melatonin receptor type 1B | Ki | = | 9.0 | nM | 8.05 | Displacement of 2-[125I]-iodomelatonin from human melatonin receptor MT2 express... | - |
| Melatonin receptor type 1B | Ki | = | 21.38 | nM | 7.67 | Displacement of 2-[125I]-iodomelatonin from human melatonin receptor MT2 express... | - |
| Melatonin receptor type 1A | Ki | = | 25.12 | nM | 7.6 | Displacement of 2-[125I]-iodomelatonin from human melatonin receptor MT1 express... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00190K | Melatonin receptor type 1A | 2 |
| - | 10.1039/C5MD00190K | Melatonin receptor type 1B | 2 |
Data from ChEMBL 36 via Core Engine