Compound Detail
CHEMBL291120
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Basic Information
| ChEMBL ID | CHEMBL291120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYQPNPOUJPDQJM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.2
MW (Da)
2.54
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.13
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 6.13 | 6.13 | 740.0 | 2 |
| Melanophore CHEMBL614313 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 740.0 | nM | 6.13 | Binding affinity towards melatonin receptor was determined using 2-[125I]iodomel... | - |
| Melatonin receptor | Ki | = | 740.0 | nM | 6.13 | Binding affinity towards melatonin receptor, determined in chicken brain membran... | 9484496 |
| Melanophore | IC50 | = | 39000.0 | nM | 4.41 | Inhibitory concentration against melatonin-induced pigment aggregation by 50% in... | 9484496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80566-7 | Xenopus laevis | 2 |
| 9484496 | 10.1021/jm970246n | Melanophore | 2 |
| - | 10.1016/S0960-894X(01)80566-7 | Melatonin receptor | 1 |
| 9484496 | 10.1021/jm970246n | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine