Compound Detail
CHEMBL14975
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Basic Information
| ChEMBL ID | CHEMBL14975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVOBQOQYMLXCPR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.91
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.62 | 9.62 | 0.2 | 1 |
| Melatonin receptor CHEMBL2095154 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 4.1 | - | Coturnix |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 0.24 | nM | 9.62 | Inhibition of 2-[125I]iodomelatonin binding to melatonin receptor in quail brain... | 8258829 |
| Unchecked | Ki | = | 0.24 | nM | 9.62 | Displacement of 2-[1251]-iodomelatonin from whole quail brain membrane melatonin... | 31727472 |
| Melatonin receptor | Ki | = | 0.3047 | nM | 9.52 | Binding affinity in chicken brain membranes by using [2-125I]melatonin in a comp... | 7707316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258829 | 10.1021/jm00077a010 | Melatonin receptor | 4 |
| 7707316 | 10.1021/jm00007a010 | Melatonin receptor | 1 |
| 7707316 | 10.1021/jm00007a010 | Unchecked | 1 |
| 31727472 | 10.1016/j.ejmech.2019.111847 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine