Compound Detail
CHEMBL3342750
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Basic Information
| ChEMBL ID | CHEMBL3342750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGDGRMCHJUXEN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.76
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.59 | 4.59 | 25700.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.41 | 4.41 | 38600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1100.0 | nM | 5.96 | Antitrypanosomal activity against LacZ expressing Trypanosoma cruzi Tuluhaen C2C... | 25314007 |
| L6 | IC50 | = | 25700.0 | nM | 4.59 | Cytotoxicity against rat L6 cells | 25314007 |
| Trypanosoma brucei brucei | IC50 | = | 31000.0 | nM | 4.51 | Antitrypanosomal activity against Trypanosoma brucei brucei NYSM bloodstream for... | 25314007 |
| Trypanosoma brucei rhodesiense | IC50 | = | 38600.0 | nM | 4.41 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 trypoma... | 25314007 |
Literature References
Data from ChEMBL 36 via Core Engine