Compound Detail
CHEMBL61380
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Basic Information
| ChEMBL ID | CHEMBL61380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUNRUGPYEDPFRL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.52
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Ki 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | Ki | 9.32 | 9.32 | 0.5 | 1 |
| Melatonin receptor CHEMBL2094268 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 0.48 | nM | 9.32 | Binding affinity against melatonin receptor in the quail optica tecta using 2-[1... | 9207940 |
| Melatonin receptor | IC50 | = | 1.7 | nM | 8.77 | 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 | 5 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 9207940 | 10.1021/jm960651z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine