Compound Detail
CHEMBL12545
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Basic Information
| ChEMBL ID | CHEMBL12545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARDJQVYHKXUPRR-ZDUSSCGKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.45
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 7.42 | 7.42 | 38.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 38.3 | nM | 7.42 | Inhibition of 2-[125I]- iodomelatonin from chicken brain melatonin receptors | 10090792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090792 | 10.1021/jm9804937 | Melatonin receptor | 3 |
Data from ChEMBL 36 via Core Engine