Compound Detail
CHEMBL111063
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Basic Information
| ChEMBL ID | CHEMBL111063 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAFITOYFMKERCL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.87
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | IC50 | 7.59 | 7.59 | 25.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | IC50 | = | 25.8 | nM | 7.59 | Monophasic inhibitory concentration against melatonin receptor was measured on o... | 7932550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932550 | 10.1021/jm00046a006 | Melatonin receptor | 4 |
Data from ChEMBL 36 via Core Engine