Compound Detail
CHEMBL576112
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Basic Information
| ChEMBL ID | CHEMBL576112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJHKWPMIXFRSEE-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.44
ALogP
6
HBA
0
HBD
79.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 60000.0 | nM | 4.22 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastig... | 33007723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928920 | 10.1021/jm901207n | Mycobacterium tuberculosis | 2 |
| 19928920 | 10.1021/jm901207n | Vero | 1 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine