Compound Detail
CHEMBL1946223
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Basic Information
| ChEMBL ID | CHEMBL1946223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXZSZBFRSUTONW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1962963 |
| Active Moiety | CHEMBL1962963 |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
1.73
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.06
EC50 2 meas. best 8.19
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6.43 | nM | 8.19 | Agonist activity at human MT2 receptor expressed in CHO cells after 1 hr by [35S... | 22301214 |
| Unchecked | Ki | = | 8.7 | nM | 8.06 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 8.7 | nM | 8.06 | Displacement of [125I]iodomelatonin form human MT2 receptor expressed in CHO cel... | 22301214 |
| Unchecked | Ki | = | 218.0 | nM | 6.66 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in HEK cel... | 22301214 |
| Unchecked | Ki | = | 218.0 | nM | 6.66 | Displacement of [125I]iodomelatonin form human MT1 receptor expressed in CHO cel... | 22301214 |
| Unchecked | EC50 | = | 789.0 | nM | 6.1 | 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 | 9 |
Data from ChEMBL 36 via Core Engine