Compound Detail
CHEMBL2282149
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Basic Information
| ChEMBL ID | CHEMBL2282149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PACTXFWSVIDIEX-MDZDMXLPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 26000.0 | nM | 4.58 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 31000155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0564-x | PBMC | 2 |
| 28655421 | 10.1016/j.bmcl.2017.01.053 | No relevant target | 2 |
| - | 10.1007/s00044-013-0564-x | Whole blood | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | No relevant target | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | Xanthine dehydrogenase/oxidase | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | NON-PROTEIN TARGET | 1 |
| 28655421 | 10.1016/j.bmcl.2017.01.053 | Xanthine dehydrogenase/oxidase | 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