Compound Detail
CHEMBL1431319
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Basic Information
| ChEMBL ID | CHEMBL1431319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZCXLRXZYLOQLL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.50
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.45 | 5.45 | 3540.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.38 | 4.38 | 41700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 3540.0 | nM | 5.45 | Antitrypanosomal activity against trypomastigote form of Trypanosoma cruzi Tulah... | 22018462 |
| NIH3T3 | IC50 | = | 41700.0 | nM | 4.38 | Cytotoxicity against mouse NIH/3T3 cells | 22018462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22018462 | 10.1016/j.bmcl.2011.09.057 | ADMET | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | NIH3T3 | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | Trypanosoma cruzi | 1 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine