Compound Detail
CHEMBL3260983
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Basic Information
| ChEMBL ID | CHEMBL3260983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBINAFTXZHPTNU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
2.90
ALogP
2
HBA
1
HBD
45.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 7.04 | 7.04 | 90.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.8 | nM | 9.1 | Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expres... | 24228714 |
| Melatonin receptor type 1A | Ki | = | 90.4 | nM | 7.04 | Displacement of [125I]2-iodomelatonin from human recombinant MT1 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