Compound Detail
CHEMBL143677
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL143677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNYFKBKBMQAESQ-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.69
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
IC50 1 meas. best 4.21
Ki 1 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 7.56 | 7.56 | 27.5 | 1 |
| Melanophore CHEMBL614313 | EC50 | 6.52 | 6.52 | 305.0 | 1 |
| Melanophore CHEMBL614313 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 27.5 | nM | 7.56 | Binding affinity towards melatonin receptor, determined in chicken brain membran... | 9484496 |
| Melanophore | EC50 | = | 305.0 | nM | 6.52 | Effective concentration required to produce 50% of the maximal pigment aggregati... | 9484496 |
| Melanophore | IC50 | = | 62000.0 | nM | 4.21 | Inhibitory concentration against melatonin-induced pigment aggregation by 50% in... | 9484496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484496 | 10.1021/jm970246n | Melanophore | 2 |
| 9484496 | 10.1021/jm970246n | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine