Compound Detail
CHEMBL428882
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Basic Information
| ChEMBL ID | CHEMBL428882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GURZWDBOLSYLPG-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.54
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.0
EC50 1 meas. best 10.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | EC50 | 10.43 | 10.43 | 0.0 | 1 |
| Melatonin receptor CHEMBL2095154 | Ki | 10.0 | 9.8733 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | EC50 | = | 0.037 | nM | 10.43 | Functional activity against melatonin receptor in lightening Xenopus laevis tadp... | 10090792 |
| Melatonin receptor | Ki | = | 0.1 | nM | 10.0 | Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from ... | 7783136 |
| Melatonin receptor | Ki | = | 0.1 | nM | 10.0 | Inhibition of 2-[125I]- iodomelatonin from chicken brain melatonin receptors | 10090792 |
| Melatonin receptor | Ki | = | 0.2399 | nM | 9.62 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090792 | 10.1021/jm9804937 | Melatonin receptor | 3 |
| 7783136 | 10.1021/jm00012a004 | Melatonin receptor | 1 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine