Compound Detail
CHEMBL1946706
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 | CHEMBL1946706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRUKMVXDUFPJQY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.46
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.25 | 8.155 | 5.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5.58 | nM | 8.25 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 5.58 | nM | 8.25 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in CHO cel... | 22301214 |
| Unchecked | Ki | = | 8.7 | nM | 8.06 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 8.7 | nM | 8.06 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in CHO cel... | 22301214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22301214 | 10.1016/j.ejmech.2012.01.027 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine