Compound Detail
CHEMBL2348685
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CC(=O)Oc1c(/N=N/c2ccc(C3=N/C(=C/c4ccc(F)cc4)C(=O)O3)cc2)ccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL2348685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSJFJLVKRIIGBM-FULHLAJSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
6.66
ALogP
7
HBA
0
HBD
89.7
PSA (Ų)
0.14
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 5.36 | 5.36 | 4330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 4330.0 | nM | 5.36 | Inhibition of diphenolase activity of mushroom tyrosinase assessed as decrease i... | 23411395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23411395 | 10.1016/j.bmc.2013.01.014 | B16-F10 | 2 |
| 23411395 | 10.1016/j.bmc.2013.01.014 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine