Compound Detail
CHEMBL4519223
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Basic Information
| ChEMBL ID | CHEMBL4519223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIDHURMQNPEMTN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.3
MW (Da)
3.29
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 3 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.22 | 4.22 | 59800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.14 | 4.14 | 72443.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 13900.0 | nM | 4.86 | Anti-trypanosomal activity against Trypanosoma cruzi IRHOD/CO/2008/SN3 epimastig... | 30641409 |
| Vero | IC50 | = | 59800.0 | nM | 4.22 | Cytotoxicity against African green monkey Vero cells after 72 hrs by propidium i... | 30641409 |
| Unchecked | IC50 | = | 72443.6 | nM | 4.14 | Inhibition of Trypanosoma cruzi apoenzyme form of PFK | 30641409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Unchecked | 3 |
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Trypanosoma cruzi | 2 |
| 30641409 | 10.1016/j.ejmech.2019.01.013 | Vero | 1 |
Data from ChEMBL 36 via Core Engine