Compound Detail
CHEMBL143125
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Basic Information
| ChEMBL ID | CHEMBL143125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVMXJYFPFUTBFJ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
2.74
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.47
Ki 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 8.77 | 7.7267 | 1.7 | 3 |
| Melanophore CHEMBL614313 | EC50 | 8.47 | 6.9867 | 3.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 1.7 | nM | 8.77 | Binding affinity towards melatonin receptor, determined in chicken brain membran... | 9484496 |
| Melanophore | EC50 | = | 3.4 | nM | 8.47 | Effective concentration required to produce 50% of the maximal pigment aggregati... | 9484496 |
| Melatonin receptor | Ki | = | 16.0 | nM | 7.8 | Binding affinity towards melatonin receptor, determined in chicken brain membran... | 9484496 |
| Melatonin receptor | Ki | = | 243.0 | nM | 6.61 | Binding affinity towards melatonin receptor, determined in chicken brain membran... | 9484496 |
| Melanophore | EC50 | = | 408.0 | nM | 6.39 | Effective concentration required to produce 50% of the maximal pigment aggregati... | 9484496 |
| Melanophore | EC50 | = | 789.0 | nM | 6.1 | Effective concentration required to produce 50% of the maximal pigment aggregati... | 9484496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484496 | 10.1021/jm970246n | Melanophore | 6 |
| 9484496 | 10.1021/jm970246n | Melatonin receptor | 3 |
Data from ChEMBL 36 via Core Engine