Compound Detail
CHEMBL3765401
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Basic Information
| ChEMBL ID | CHEMBL3765401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWBKUGRLWVNDFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.1
MW (Da)
2.12
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 10.1 | 10.1 | 0.1 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.08 | nM | 10.1 | Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK29... | 26785296 |
| Melatonin receptor type 1A | Ki | = | 0.2 | nM | 9.7 | 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