Compound Detail
CHEMBL3764879
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 | CHEMBL3764879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSSABVWRNALCDM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.34
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 6.7 | 6.7 | 198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 1.3 | nM | 8.89 | Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK29... | 26785296 |
| Melatonin receptor type 1A | Ki | = | 198.0 | nM | 6.7 | Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK29... | 26785296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26785296 | 10.1016/j.ejmech.2016.01.008 | Melatonin receptor type 1A | 2 |
| 26785296 | 10.1016/j.ejmech.2016.01.008 | Melatonin receptor type 1B | 2 |
| 26785296 | 10.1016/j.ejmech.2016.01.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine