Compound Detail
CHEMBL5646727
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Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(-c2ccc(CCCC3CCN(C)CC3)cc2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL5646727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUBMAXFUAAMMOG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
599.6
MW (Da)
7.09
ALogP
5
HBA
0
HBD
58.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 60.0 | nM | 7.22 | Antiprotozoal activity against Trypanosoma cruzi amastigotes measured after 24 h... | 37336067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37336067 | 10.1016/j.ejmech.2023.115550 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine