Compound Detail
CHEMBL1766167
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Basic Information
| ChEMBL ID | CHEMBL1766167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAOYKLCKOHMZNN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.7
MW (Da)
3.62
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.12
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.74 | 5.74 | 1830.0 | 1 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.12 | 4.12 | 76800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 1830.0 | nM | 5.74 | Inhibition of alpha-MSH-induced melanin synthesis in mouse B16 cells grown in a ... | 21429753 |
| Radical scavenging activity | EC50 | = | 76800.0 | nM | 4.12 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 21429753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21429753 | 10.1016/j.bmc.2011.02.044 | Tyrosinase | 2 |
| 21429753 | 10.1016/j.bmc.2011.02.044 | B16 | 2 |
| 21429753 | 10.1016/j.bmc.2011.02.044 | Radical scavenging activity | 2 |
Data from ChEMBL 36 via Core Engine