Compound Detail
CHEMBL4465961
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Basic Information
| ChEMBL ID | CHEMBL4465961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJXFBHMOTGKQSU-DSPGLSBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
0.96
ALogP
8
HBA
4
HBD
113.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.43 | 4.43 | 36900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 36900.0 | nM | 4.43 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 amastigotes inf... | 31495177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Unchecked | 2 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine