Compound Detail
CHEMBL1275672
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Basic Information
| ChEMBL ID | CHEMBL1275672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXKOUGDVYBSIMT-RIYZIHGNSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.5
MW (Da)
3.56
ALogP
5
HBA
1
HBD
36.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.64 | 5.365 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Trypanosoma cruzi cruzaine pre-incubated for 10 mins | 20961766 |
| Trypanosoma cruzi | IC50 | = | 2300.0 | nM | 5.64 | Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Y assesse... | 20961766 |
| Trypanosoma cruzi | IC50 | = | 8100.0 | nM | 5.09 | 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 | Trypanosoma cruzi | 5 |
| 20961766 | 10.1016/j.bmc.2010.09.056 | Cruzipain | 4 |
| 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