Compound Detail
CHEMBL5558348
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5558348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSPKEIAHRSYAMF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.29
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.5 | nM | 9.3 | Binding affinity to human MT2 receptor assessed as inhibition constant | 37866336 |
| Melatonin receptor type 1A | Ki | = | 55.0 | nM | 7.26 | Binding affinity to human MT1 receptor assessed as inhibition constant | 37866336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37866336 | 10.1016/j.ejmech.2023.115888 | Melatonin receptor type 1A | 1 |
| 37866336 | 10.1016/j.ejmech.2023.115888 | Melatonin receptor type 1B | 1 |
Data from ChEMBL 36 via Core Engine