Compound Detail
CHEMBL5408010
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CCCCCn1nc(-c2ccccc2)n(CC(=O)NNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O
Basic Information
| ChEMBL ID | CHEMBL5408010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZCPFCZLQZRPGO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.5
MW (Da)
4.79
ALogP
6
HBA
3
HBD
110.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mushroom tyrosinase CHEMBL6066154 | IC50 | 9.0 | 8.855 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mushroom tyrosinase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of mushroom tyrosinase by spectrophotometric method | 37482020 |
| Mushroom tyrosinase | IC50 | = | 1.97 | nM | 8.71 | Inhibition of mushroom tyrosinase incubated for 10 mins by spectrophotometric an... | 35717871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35717871 | 10.1016/j.ejmech.2022.114525 | Mushroom tyrosinase | 1 |
| 37482020 | 10.1016/j.ejmech.2023.115655 | Mushroom tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine