Compound Detail
CHEMBL3103590
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Basic Information
| ChEMBL ID | CHEMBL3103590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYRYBFXVPKJGEV-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.93
ALogP
3
HBA
2
HBD
46.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.42
Ki 2 meas. best 8.25
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 5.6 | nM | 8.25 | Displacement of 2-[I]iodomelatonin from human melatonin MT1 receptor after 120 m... | 24417958 |
| Unchecked | Ki | = | 7.4 | nM | 8.13 | Displacement of 2-[I]iodomelatonin from human melatonin MT2 receptor after 120 m... | 24417958 |
| Unchecked | EC50 | = | 38.0 | nM | 7.42 | Intrinsic activity at human melatonin MT2 receptor expressed in CHO cells assess... | 24417958 |
| Unchecked | EC50 | = | 143.0 | nM | 6.84 | Intrinsic activity at human melatonin MT1 receptor expressed in CHO cells assess... | 24417958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24417958 | 10.1016/j.bmc.2013.12.054 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine