Compound Detail
CHEMBL1276302
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Basic Information
| ChEMBL ID | CHEMBL1276302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXRQLYFWHPDMEA-VGOFMYFVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.5
MW (Da)
3.48
ALogP
5
HBA
1
HBD
36.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.35 | 5.28 | 4500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 4500.0 | nM | 5.35 | Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Y assesse... | 20961766 |
| Trypanosoma cruzi | IC50 | = | 6100.0 | nM | 5.21 | Antitrypanosomal activity against epimastigotes of Trypanosoma cruzi Y assessed ... | 20961766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20961766 | 10.1016/j.bmc.2010.09.056 | Cruzipain | 4 |
| 20961766 | 10.1016/j.bmc.2010.09.056 | Trypanosoma cruzi | 3 |
| 20961766 | 10.1016/j.bmc.2010.09.056 | Mus musculus | 1 |
| 20961766 | 10.1016/j.bmc.2010.09.056 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine