Compound Detail
CHEMBL3800098
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Basic Information
| ChEMBL ID | CHEMBL3800098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USOXCGKYXJHTSU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.11
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1600.0 | nM | 5.8 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 27102161 |
| Trypanosoma brucei brucei | IC50 | = | 1600.0 | nM | 5.8 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 strain bl... | 27548560 |
| Trypanosoma cruzi | IC50 | = | 6300.0 | nM | 5.2 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain trypomastigo... | 27548560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Unchecked | 2 |
| 27102161 | 10.1016/j.bmc.2016.04.006 | Trypanosoma brucei brucei | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma brucei brucei | 1 |
| 27548560 | 10.1021/acs.jmedchem.6b00442 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine