Compound Detail
CHEMBL288562
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Basic Information
| ChEMBL ID | CHEMBL288562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJIFPSFOSMKSAB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
236.7
MW (Da)
2.50
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Ki 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Melatonin receptor CHEMBL2094268 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 30.0 | nM | 7.52 | Binding affinity for Melatonin receptor using 2-[125I]iodomelatonin as radioliga... | 9748358 |
| Melatonin receptor | IC50 | = | 126.0 | nM | 6.9 | inhibitory concentration against Melatonin receptor | 9748358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 3 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1A | 2 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1B | 2 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor type 1C | 1 |
Data from ChEMBL 36 via Core Engine