Compound Detail
CHEMBL372243
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Basic Information
| ChEMBL ID | CHEMBL372243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZRVFYJZVXNSMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.8
MW (Da)
4.02
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 5.74 | 5.74 | 1819.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 1819.7 | nM | 5.74 | Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expr... | 15943478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943478 | 10.1021/jm048956y | Melatonin receptor type 1B | 2 |
| 15943478 | 10.1021/jm048956y | Melatonin receptor type 1A | 1 |
Data from ChEMBL 36 via Core Engine