Compound Detail
CHEMBL134874
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Basic Information
| ChEMBL ID | CHEMBL134874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNMSTYMECCGDFX-JTQLQIEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
2.79
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | Ki | 10.91 | 10.91 | 0.0 | 1 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | Ki | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 0.0123 | nM | 10.91 | Ability to inhibit 2-[125I]iodomelatonin specific binding to human melatonin rec... | 12213062 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] | Ki | = | 1550.0 | nM | 5.81 | Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor ... | 12213062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213062 | 10.1021/jm020114g | Melatonin receptor | 1 |
| 12213062 | 10.1021/jm020114g | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
Data from ChEMBL 36 via Core Engine