Compound Detail
CHEMBL4239110
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Basic Information
| ChEMBL ID | CHEMBL4239110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEWLDBXZCRMHEY-AAWHFPIWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.89
ALogP
6
HBA
5
HBD
118.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL1973 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Tyrosinase CHEMBL5346 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of tyrosinase (unknown origin) | 29763564 |
| Tyrosinase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin syn... | 29763564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29763564 | 10.1021/acs.jmedchem.7b00967 | Tyrosinase | 2 |
| 30227999 | 10.1016/j.bmc.2018.09.010 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine