Compound Detail
CHEMBL1091161
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Basic Information
| ChEMBL ID | CHEMBL1091161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKYABHOVHZOAEX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.73
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | Ki | 6.58 | 6.58 | 263.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | Ki | = | 263.0 | nM | 6.58 | 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 1B | 2 |
| 20227878 | 10.1016/j.bmcl.2010.02.084 | Melatonin receptor type 1A | 1 |
| 20227878 | 10.1016/j.bmcl.2010.02.084 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine