Compound Detail
CHEMBL404699
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Basic Information
| ChEMBL ID | CHEMBL404699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPXKIPVPEBSPLT-GHXNOFRVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
1.25
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.04 | 4.04 | 91140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of mushroom tyrosinase | 18326070 |
| Trypanosoma brucei brucei | IC50 | = | 91140.0 | nM | 4.04 | Trypanocidal activity against Trypanosoma brucei brucei 427 bloodstream form ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18326070 | 10.1016/j.bmc.2007.10.102 | Tyrosinase | 1 |
| - | 10.1007/s00044-012-0208-6 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine