Compound Detail
CHEMBL392421
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Basic Information
| ChEMBL ID | CHEMBL392421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUPBATMCRZDEBU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
2.17
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.81
EC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.81 | 8.81 | 1.5 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Melatonin receptor type 1C CHEMBL5495 | EC50 | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 1.549 | nM | 8.81 | Displacement of 2[125I]iodomelatonin from human recombinant MT2 receptor express... | 17459711 |
| Melatonin receptor type 1A | Ki | = | 8.71 | nM | 8.06 | Displacement of 2[125I]iodomelatonin from human recombinant MT1 receptor express... | 17459711 |
| Melatonin receptor type 1C | EC50 | = | 9.772 | nM | 8.01 | Effect on pigment aggregation in Xenopus laevis melanophores | 17459711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17459711 | 10.1016/j.bmc.2007.04.013 | Melatonin receptor type 1C | 1 |
| 17459711 | 10.1016/j.bmc.2007.04.013 | Melatonin receptor type 1A | 1 |
| 17459711 | 10.1016/j.bmc.2007.04.013 | Melatonin receptor | 1 |
| 17459711 | 10.1016/j.bmc.2007.04.013 | Melatonin receptor type 1B | 1 |
Data from ChEMBL 36 via Core Engine