Compound Detail
CHEMBL94301
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 | CHEMBL94301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKNOILZDEOADOM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.50
ALogP
3
HBA
2
HBD
63.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.35 | nM | 9.46 | Binding affinity on human melatonin receptor type 1B stably transfected in human... | 12061881 |
| Melatonin receptor type 1A | Ki | = | 5.37 | nM | 8.27 | Binding affinity on human melatonin receptor type 1A stably transfected in human... | 12061881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177448 | 10.1016/j.bmcl.2004.04.073 | Melatonin receptor type 1A | 1 |
| 15177448 | 10.1016/j.bmcl.2004.04.073 | Melatonin receptor type 1B | 1 |
| 15177448 | 10.1016/j.bmcl.2004.04.073 | Melatonin receptor | 1 |
| 12061881 | 10.1021/jm0005252 | Melatonin receptor type 1A | 1 |
| 12061881 | 10.1021/jm0005252 | Melatonin receptor type 1B | 1 |
| 12061881 | 10.1021/jm0005252 | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine