Compound Detail
CHEMBL1091716
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Basic Information
| ChEMBL ID | CHEMBL1091716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCALHGWOQMIBAA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.74
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.79 | 8.79 | 1.6 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 5.74 | 5.74 | 1840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 1.61 | nM | 8.79 | Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO... | 20227878 |
| Melatonin receptor type 1A | Ki | = | 1840.0 | nM | 5.74 | Displacement of [3H]melatonin from human melatonin MT1 receptor expressed in CHO... | 20227878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20227878 | 10.1016/j.bmcl.2010.02.084 | Melatonin receptor type 1A | 1 |
| 20227878 | 10.1016/j.bmcl.2010.02.084 | Melatonin receptor type 1B | 1 |
| 20227878 | 10.1016/j.bmcl.2010.02.084 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine