Compound Detail
CHEMBL243127
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Basic Information
| ChEMBL ID | CHEMBL243127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZTQPWJXTVXKJK-ONNFQVAWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
0.26
ALogP
4
HBA
4
HBD
90.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of mushroom tyrosinase using L-dopa as substrate preincubated for 10 ... | 31015905 |
| Unchecked | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of pieris rapae Phenoloxidase | 17258462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17258462 | 10.1016/j.bmc.2006.12.038 | Unchecked | 2 |
| 31015905 | 10.1039/C9MD00005D | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine