Compound Detail
CHEMBL227747
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Basic Information
| ChEMBL ID | CHEMBL227747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZBVVWGIPLTRQL-LREOWRDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
3.96
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 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 | EC50 | = | 60000.0 | nM | 4.22 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 31000155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17007965 | 10.1016/j.ejmech.2006.08.012 | Candida albicans | 3 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | Stromal cell-derived factor 1 | 1 |
| 30106292 | 10.1021/acs.jmedchem.8b00657 | No relevant target | 1 |
| 31000155 | 10.1016/j.bmcl.2019.04.020 | Trypanosoma cruzi | 1 |
| 31000155 | 10.1016/j.bmcl.2019.04.020 | L929 | 1 |
| 31000155 | 10.1016/j.bmcl.2019.04.020 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine