Compound Detail
CHEMBL1946709
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Basic Information
| ChEMBL ID | CHEMBL1946709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYMDEEHMUSOUQH-UHFFFAOYSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.92
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.42
EC50 2 meas. best 8.31
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3.8 | nM | 8.42 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 3.8 | nM | 8.42 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in CHO cel... | 22301214 |
| Unchecked | Ki | = | 4.0 | nM | 8.4 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 4.0 | nM | 8.4 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in CHO cel... | 22301214 |
| Unchecked | EC50 | = | 4.93 | nM | 8.31 | Agonist activity at human MT2 receptor expressed in CHO cells after 1 hr by [35S... | 22301214 |
| Unchecked | EC50 | = | 31.8 | nM | 7.5 | Agonist activity at human MT1 receptor expressed in CHO cells after 1 hr by [35S... | 22301214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22301214 | 10.1016/j.ejmech.2012.01.027 | Unchecked | 8 |
Data from ChEMBL 36 via Core Engine