Compound Detail
CHEMBL4104322
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Basic Information
| ChEMBL ID | CHEMBL4104322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSHUPIOMFVGWHX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4117646 |
| Active Moiety | CHEMBL4117646 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
7.50
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 8.92 | 8.83 | 1.2 | 2 |
| Trypanosoma congolense CHEMBL4296607 | EC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1.2 | nM | 8.92 | Anti-parasitic activity against diminazene, pentamidine and melaminophenyl arsen... | 28112515 |
| Trypanosoma brucei brucei | EC50 | = | 1.8 | nM | 8.74 | Anti-parasitic activity against bloodstream trypomastigote stage of wild-type Tr... | 28112515 |
| Trypanosoma congolense | EC50 | = | 950.0 | nM | 6.02 | Anti-parasitic activity against bloodstream form of Trypanosoma congolense IL300... | 28112515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28112515 | 10.1021/acs.jmedchem.6b01740 | Trypanosoma brucei brucei | 4 |
| 28112515 | 10.1021/acs.jmedchem.6b01740 | Unchecked | 4 |
| 28112515 | 10.1021/acs.jmedchem.6b01740 | Trypanosoma congolense | 1 |
| 28112515 | 10.1021/acs.jmedchem.6b01740 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine