Compound Detail
CHEMBL2314259
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Basic Information
| ChEMBL ID | CHEMBL2314259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMYFXYOFPXZULT-CMDGGOBGSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.96
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.92
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.92 | 10.92 | 0.0 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| Melatonin receptor type 1B CHEMBL1946 | Ki | 10.15 | 10.15 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.012 | nM | 10.92 | Displacement of [125I]2-iodomelatonin from melatonin receptor in chicken brain m... | 23265885 |
| Melatonin receptor type 1A | Ki | = | 0.03 | nM | 10.52 | Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expres... | 23265885 |
| Melatonin receptor type 1B | Ki | = | 0.07 | nM | 10.15 | Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expres... | 23265885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23265885 | 10.1016/j.bmcl.2012.11.069 | Xenopus laevis | 3 |
| 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