Compound Detail
CHEMBL1946232
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Basic Information
| ChEMBL ID | CHEMBL1946232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHUXIOLNBLTPDJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.67
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 10.15 | 10.075 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.07 | nM | 10.15 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 0.07 | nM | 10.15 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in CHO cel... | 22301214 |
| Unchecked | Ki | = | 0.1 | nM | 10.0 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 0.1 | nM | 10.0 | Displacement of [125I]iodomelatonin form human MT1 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