Compound Detail
CHEMBL3260979
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Basic Information
| ChEMBL ID | CHEMBL3260979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJIFXQUAUXBPKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
280.8
MW (Da)
2.82
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.87 | 8.87 | 1.3 | 1 |
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | Ki | = | 1.34 | nM | 8.87 | Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expres... | 24228714 |
| Melatonin receptor type 1B | Ki | = | 2.2 | nM | 8.66 | Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expres... | 24228714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24228714 | 10.1021/jm401343c | Melatonin receptor type 1A | 1 |
| 24228714 | 10.1021/jm401343c | Melatonin receptor type 1B | 1 |
Data from ChEMBL 36 via Core Engine