Compound Detail
CHEMBL61505
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Basic Information
| ChEMBL ID | CHEMBL61505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWARHDUWOJUADN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.46
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Ki 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | Ki | 5.04 | 5.04 | 9100.0 | 1 |
| Melatonin receptor CHEMBL2094268 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 9100.0 | nM | 5.04 | Binding affinity against melatonin receptor in the quail optica tecta using 2-[1... | 9207940 |
| Melatonin receptor | IC50 | = | 33000.0 | nM | 4.48 | Inhibitory activity against melatonin receptor in the quail optica tecta using 2... | 9207940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9207940 | 10.1021/jm960651z | Melatonin receptor | 3 |
| 17276684 | 10.1016/j.bmcl.2007.01.055 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine