Compound Detail
CHEMBL2042788
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Basic Information
| ChEMBL ID | CHEMBL2042788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYOAQCIMCXLKLV-MJOGEOKXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
2.28
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 4.13 | 4.13 | 74800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 5600.0 | nM | 5.25 | Antitrypanosomal activity against bloodstream form of Trypanosoma cruzi Y trypom... | 22727447 |
| Cruzipain | IC50 | = | 74800.0 | nM | 4.13 | Inhibition of Trypanosoma cruzi C-terminally truncated cruzain expressed in Esch... | 22727447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727447 | 10.1016/j.ejmech.2012.05.041 | Trypanosoma cruzi | 2 |
| 22727447 | 10.1016/j.ejmech.2012.05.041 | J774 | 1 |
| 22727447 | 10.1016/j.ejmech.2012.05.041 | Cruzipain | 1 |
| 22727447 | 10.1016/j.ejmech.2012.05.041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine