Compound Detail
CHEMBL53722
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Basic Information
| ChEMBL ID | CHEMBL53722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLOPYZXYIGHBJL-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
1.37
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 6.6 | 6.3833 | 251.2 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 253.0 | nM | 6.6 | Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from ... | 7783136 |
| Melatonin receptor | Ki | = | 251.19 | nM | 6.6 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
| Melatonin receptor | Ki | = | 253.0 | nM | 6.6 | Binding affinity towards melatonin receptor in Chicken brain Experiment 2 | 8627603 |
| Melatonin receptor | Ki | = | 581.0 | nM | 6.24 | Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal... | 8411005 |
| Melatonin receptor | Ki | = | 581.0 | nM | 6.24 | Binding affinity towards melatonin receptor in Chicken retinal membranes | 8627603 |
| Melatonin receptor | Ki | = | 958.0 | nM | 6.02 | Binding affinity towards melatonin receptor in Chicken brain Experiment 1 | 8627603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627603 | 10.1021/jm9508189 | Melatonin receptor | 3 |
| 8411005 | 10.1021/jm00072a008 | Melatonin receptor | 2 |
| 7783136 | 10.1021/jm00012a004 | Melatonin receptor | 1 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine