Compound Detail
CHEMBL128211
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Basic Information
| ChEMBL ID | CHEMBL128211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTSMXSDKKDTSNT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.51
ALogP
4
HBA
1
HBD
30.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.56 | 4.4133 | 27400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 27400.0 | nM | 4.56 | Antiparasitic activity against epimastigote form of Trypanosoma cruzi | 12190320 |
| Trypanosoma cruzi | IC50 | = | 45600.0 | nM | 4.34 | Antiproliferative activity against epimastigote form of Trypanosoma cruzi | 12190320 |
| Trypanosoma cruzi | IC50 | = | 46000.0 | nM | 4.34 | 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