Compound Detail
CHEMBL4205834
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Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)/C(=C/c3ccc(O)c(O)c3)C2c2ccc(O)c(O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4205834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWDUUUPCCHYXER-HYARGMPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
5.03
ALogP
7
HBA
4
HBD
135.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trans-sialidase CHEMBL4105902 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trans-sialidase | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Trypanosoma cruzi trans-sialidase using Trifluoromethylumbellifery... | 29032929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29032929 | 10.1016/j.bmc.2017.09.042 | Trans-sialidase | 1 |
Data from ChEMBL 36 via Core Engine