Compound Detail
CHEMBL128441
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Basic Information
| ChEMBL ID | CHEMBL128441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIQHSEVRNGSKMY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.1
MW (Da)
2.88
ALogP
3
HBA
0
HBD
33.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.73 | 4.725 | 18500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 18500.0 | nM | 4.73 | Antiproliferative activity against epimastigote form of Trypanosoma cruzi | 12190320 |
| Trypanosoma cruzi | IC50 | = | 19000.0 | nM | 4.72 | Antimicrobial activity against Trypanosoma cruzi | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190320 | 10.1021/jm0201518 | Trypanosoma cruzi | 2 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine