Compound Detail
CHEMBL227400
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Basic Information
| ChEMBL ID | CHEMBL227400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATKADZVINWFQOE-SOFGYWHQSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.31
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.21
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.21 | 4.21 | 60900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 60900.0 | nM | 4.21 | Antitrypanosomal activity against Trypanosoma cruzi Y trypomastigotes infected i... | 31000155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502148 | 10.1016/j.bmc.2007.04.041 | Human immunodeficiency virus type 1 integrase | 2 |
| 17007965 | 10.1016/j.ejmech.2006.08.012 | Candida albicans | 1 |
| 18930396 | 10.1016/j.bmcl.2008.09.105 | Low molecular weight protein-tyrosine phosphatase A | 1 |
| 22608392 | 10.1016/j.bmcl.2012.04.108 | 3T3-L1 | 1 |
| - | 10.1007/s00044-010-9305-6 | Culex quinquefasciatus | 1 |
| 24780600 | 10.1016/j.ejmech.2014.04.018 | Unchecked | 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