Compound Detail
CHEMBL3752821
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O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]
Basic Information
| ChEMBL ID | CHEMBL3752821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMZGOFIWFMYUNR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.1
MW (Da)
3.80
ALogP
3
HBA
0
HBD
71.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1300.0 | nM | 5.89 | Trypanocidal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes after 5... | 26750255 |
| Mycobacterium tuberculosis | IC50 | = | 3600.0 | nM | 5.44 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 incub... | 27025343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27025343 | 10.1016/j.bmcl.2016.03.066 | Mycobacterium tuberculosis | 3 |
| 26750255 | 10.1016/j.bmcl.2015.12.070 | Trypanosoma cruzi | 2 |
Data from ChEMBL 36 via Core Engine