Compound Detail
CHEMBL12477
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Basic Information
| ChEMBL ID | CHEMBL12477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFVZJQYIPSPCKZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.84
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 8.22 | 8.17 | 6.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 6.0 | nM | 8.22 | In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin... | 8759629 |
| Melatonin receptor | Ki | = | 6.026 | nM | 8.22 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
| Melatonin receptor | Ki | = | 8.6 | nM | 8.07 | Inhibition of 2-[125I]- iodomelatonin from chicken brain melatonin receptors | 10090792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090792 | 10.1021/jm9804937 | Melatonin receptor | 3 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 8759629 | 10.1021/jm960219h | Melatonin receptor | 1 |
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine