Compound Detail
CHEMBL3103586
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Basic Information
| ChEMBL ID | CHEMBL3103586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJWMMQXOSZTGPR-DUXPYHPUSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.99
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.85
Ki 2 meas. best 8.89
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.3 | nM | 8.89 | Displacement of 2-[I]iodomelatonin from human melatonin MT1 receptor after 120 m... | 24417958 |
| Unchecked | Ki | = | 2.6 | nM | 8.59 | Displacement of 2-[I]iodomelatonin from human melatonin MT2 receptor after 120 m... | 24417958 |
| Unchecked | EC50 | = | 14.0 | nM | 7.85 | Intrinsic activity at human melatonin MT2 receptor expressed in CHO cells assess... | 24417958 |
| Unchecked | EC50 | = | 61.0 | nM | 7.21 | 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