Compound Detail
CHEMBL43190
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Basic Information
| ChEMBL ID | CHEMBL43190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWROPIZBUMLVHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.1
MW (Da)
2.61
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 138.0 | nM | 6.86 | Binding affinity towards melatonin receptor using 2-[125I]iodomelatonin as radio... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80565-5 | Melatonin receptor | 1 |
| - | 10.1016/S0960-894X(01)80565-5 | Xenopus laevis | 1 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine