Compound Detail
CHEMBL3331095
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Basic Information
| ChEMBL ID | CHEMBL3331095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSFRIPZZFYCCBG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.77
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.24 | 5.24 | 5790.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.79 | 4.79 | 16160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 5790.0 | nM | 5.24 | Trypanocidal activity against epimastigote stage of Trypanosoma cruzi infected i... | 25127463 |
| Vero | IC50 | = | 16160.0 | nM | 4.79 | Cytotoxicity against african green monkey Vero cells by MTT assay | 25127463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25127463 | 10.1016/j.bmc.2014.07.030 | Trypanosoma cruzi | 2 |
| 25127463 | 10.1016/j.bmc.2014.07.030 | Vero | 1 |
| 25127463 | 10.1016/j.bmc.2014.07.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine