Compound Detail
CHEMBL1946230
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Basic Information
| ChEMBL ID | CHEMBL1946230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHEMHGXCGLCUEQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.36
ALogP
4
HBA
1
HBD
50.8
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 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.05 | 6.215 | 88.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 88.3 | nM | 7.05 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 88.3 | nM | 7.05 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in CHO cel... | 22301214 |
| Unchecked | Ki | = | 4170.0 | nM | 5.38 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 4170.0 | nM | 5.38 | 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 | 5 |
Data from ChEMBL 36 via Core Engine