Compound Detail
CHEMBL1774172
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CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1774172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZRIJLLGEUPKNZ-NILYLAQZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names
Molecular Properties
652.6
MW (Da)
-1.47
ALogP
17
HBA
9
HBD
275.5
PSA (Ų)
0.10
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.56 | 4.56 | 27300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 27300.0 | nM | 4.56 | Antitrypanosomal activity against epimastigote form of Trypanosoma cruzi assesse... | 21466157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21466157 | 10.1021/np1008043 | Trypanosoma cruzi | 9 |
| 21466157 | 10.1021/np1008043 | Vero | 1 |
| 21466157 | 10.1021/np1008043 | Unchecked | 1 |
| 21466157 | 10.1021/np1008043 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine