Compound Detail
CHEMBL1269349
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Basic Information
| ChEMBL ID | CHEMBL1269349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOZGBIVLELURMD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
1.60
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.72
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Tyrosinase CHEMBL1973 | Ki | 4.72 | 4.72 | 19000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of mushroom tyrosinase after 20 mins by microplate reader analysis | 20934336 |
| Tyrosinase | Ki | = | 19000.0 | nM | 4.72 | Inhibition of human tyrosinase using L- DOPA as substrate by MBTH based assay | 32787103 |
| Tyrosinase | Ki | = | 19000.0 | nM | 4.72 | Binding affinity to human Tyrosinase assessed as inhibition constant | 37487307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20934336 | 10.1016/j.bmcl.2010.09.042 | RAW264.7 | 2 |
| 20934336 | 10.1016/j.bmcl.2010.09.042 | Tyrosinase | 1 |
| 32787103 | 10.1021/acs.jmedchem.0c00994 | Tyrosinase | 1 |
| 37487307 | 10.1016/j.ejmech.2023.115672 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine