Compound Detail
CHEMBL4101226
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Basic Information
| ChEMBL ID | CHEMBL4101226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIMXACQKSLBLPF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.49
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL5346 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 4.3 | 4.3 | 49800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin pro... | 28268138 |
| Mushroom tyrosinase | IC50 | = | 49800.0 | nM | 4.3 | Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for... | 28268138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28268138 | 10.1016/j.bmcl.2017.02.058 | Mushroom tyrosinase | 4 |
| 28268138 | 10.1016/j.bmcl.2017.02.058 | Tyrosinase | 4 |
| 28268138 | 10.1016/j.bmcl.2017.02.058 | B16 | 3 |
Data from ChEMBL 36 via Core Engine