Compound Detail
CHEMBL1774516
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Basic Information
| ChEMBL ID | CHEMBL1774516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGOKJHZXFUZZRR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.66
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 11.0 | 11.0 | 0.0 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 10.49 | 10.49 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.01 | nM | 11.0 | Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO ... | 21473625 |
| Melatonin receptor type 1A | Ki | = | 0.032 | nM | 10.49 | 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