Compound Detail
CHEMBL365302
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c1ccc(COC2OC[C@H](Cc3ccc4c(c3)OCO4)[C@@H]2Cc2ccc3c(c2)OCO3)cc1
Basic Information
| ChEMBL ID | CHEMBL365302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOAMOIWHAXNEGT-BTOHDXCHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.73
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 5700.0 | nM | 5.24 | Trypanocidal activity against amastigote forms of Y strain of Trypanosoma cruzi | 15603944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15603944 | 10.1016/j.bmcl.2004.10.079 | Trypanosoma cruzi | 5 |
Data from ChEMBL 36 via Core Engine