Compound Detail
CHEMBL1774514
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Basic Information
| ChEMBL ID | CHEMBL1774514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVPNOUBTPAPTDK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.50
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 10.96 | 10.96 | 0.0 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 10.89 | 10.89 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.011 | nM | 10.96 | Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO ... | 21473625 |
| Melatonin receptor type 1A | Ki | = | 0.013 | nM | 10.89 | Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO ... | 21473625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21473625 | 10.1021/jm200221q | Unchecked | 1 |
| 21473625 | 10.1021/jm200221q | Melatonin receptor type 1B | 1 |
| 21473625 | 10.1021/jm200221q | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine