Compound Detail
CHEMBL3103581
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Basic Information
| ChEMBL ID | CHEMBL3103581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAABUBFAICIIPL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
4.69
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.54 | 7.505 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 29.0 | nM | 7.54 | Displacement of 2-[I]iodomelatonin from human melatonin MT2 receptor after 120 m... | 24417958 |
| Unchecked | Ki | = | 34.0 | nM | 7.47 | Displacement of 2-[I]iodomelatonin from human melatonin MT1 receptor after 120 m... | 24417958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24417958 | 10.1016/j.bmc.2013.12.054 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine