Compound Detail
CHEMBL64142
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Basic Information
| ChEMBL ID | CHEMBL64142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHZOCMYTAXFXCZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
3.31
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 8.86 | 8.86 | 1.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 1.37 | nM | 8.86 | Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from ... | 7783136 |
| Melatonin receptor | Ki | = | 1.38 | nM | 8.86 | Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomel... | 9057860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783136 | 10.1021/jm00012a004 | Melatonin receptor | 1 |
| 9057860 | 10.1021/jm960680+ | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine