Compound Detail
CHEMBL1631696
FEXINIDAZOLE SULFONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1631696 |
| Name | FEXINIDAZOLE SULFONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMIAMMYJWRZXIX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
1.31
ALogP
7
HBA
0
HBD
104.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 6.21 | 5.4167 | 620.0 | 3 |
| Leishmania donovani CHEMBL367 | EC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 620.0 | nM | 6.21 | Antimicrobial activity against Trypanosoma brucei | 20439607 |
| Leishmania donovani | EC50 | = | 5300.0 | nM | 5.28 | Antileishmanial activity against Leishmania donovani LV9 amastigotes infected in... | 28463485 |
| Trypanosoma brucei | EC50 | = | 9600.0 | nM | 5.02 | Antimicrobial activity against Trypanosoma brucei NfxR1 | 20439607 |
| Trypanosoma brucei | EC50 | = | 9500.0 | nM | 5.02 | Antimicrobial activity against Trypanosoma brucei NfxR2 | 20439607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20439607 | 10.1128/aac.00332-10 | Trypanosoma brucei | 5 |
| 20439607 | 10.1128/aac.00332-10 | Blood | 1 |
| 28463485 | 10.1021/acs.jmedchem.7b00143 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine