Compound Detail
CHEMBL4534114
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Basic Information
| ChEMBL ID | CHEMBL4534114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJTRTRUDXSKAFC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.51
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.66 | 5.19 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 2200.0 | nM | 5.66 | Anti-trypanosomal activity against Trypanosoma cruzi IRHOD/CO/2008/SN3 epimastig... | 30641409 |
| Trypanosoma cruzi | IC50 | = | 19000.0 | nM | 4.72 | Anti-trypanosomal activity against Trypanosoma cruzi IRHOD/CO/2008/SN3 amastigot... | 30641409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Unchecked | 8 |
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Trypanosoma cruzi | 3 |
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Vero | 1 |
Data from ChEMBL 36 via Core Engine