Compound Detail
CHEMBL2314250
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Basic Information
| ChEMBL ID | CHEMBL2314250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHJKHPPLVRMIAO-LSDHHAIUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
2.83
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.17 | 8.17 | 6.8 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.89 | 6.89 | 128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 6.8 | nM | 8.17 | Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expres... | 23265885 |
| Melatonin receptor type 1A | Ki | = | 19.0 | nM | 7.72 | Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expres... | 23265885 |
| Unchecked | Ki | = | 128.0 | nM | 6.89 | Displacement of [125I]2-iodomelatonin from melatonin receptor in chicken brain m... | 23265885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23265885 | 10.1016/j.bmcl.2012.11.069 | Xenopus laevis | 1 |
| 23265885 | 10.1016/j.bmcl.2012.11.069 | Unchecked | 1 |
| 23265885 | 10.1016/j.bmcl.2012.11.069 | Melatonin receptor type 1B | 1 |
| 23265885 | 10.1016/j.bmcl.2012.11.069 | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine