Compound Detail
CHEMBL1328878
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Basic Information
| ChEMBL ID | CHEMBL1328878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJJDWEDQSMGTCV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
3.63
ALogP
6
HBA
0
HBD
60.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.72 | 6.72 | 192.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 109.0 | nM | 6.96 | Antitrypanosomal activity against trypomastigote form of Trypanosoma cruzi Tulah... | 22018462 |
| Unchecked | EC50 | = | 192.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22018462 | 10.1016/j.bmcl.2011.09.057 | NIH3T3 | 2 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | No relevant target | 2 |
| 22018462 | 10.1016/j.bmcl.2011.09.057 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine