Compound Detail
CHEMBL34622
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Basic Information
| ChEMBL ID | CHEMBL34622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXGNHTKZJOTYNZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.25
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 9.72 | 9.645 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 0.19 | nM | 9.72 | Binding affinity towards melatonin receptor in chicken brain. | 8627603 |
| Melatonin receptor | Ki | = | 0.27 | nM | 9.57 | Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal... | 8411005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411005 | 10.1021/jm00072a008 | Melatonin receptor | 2 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1A | 1 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1B | 1 |
| 8627603 | 10.1021/jm9508189 | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine