Compound Detail
CHEMBL1316091
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Basic Information
| ChEMBL ID | CHEMBL1316091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMBZFKXYDBFYTC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.66
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Trypanosoma cruzi Cruzain | 32818869 |
| Trypanosoma cruzi | IC50 | = | 64000.0 | nM | 4.19 | Antitrypanosomal activity against Trypanosoma cruzi epimastigotes | 32818869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32818869 | 10.1016/j.ejmech.2020.112692 | Trypanosoma cruzi | 1 |
| 32818869 | 10.1016/j.ejmech.2020.112692 | Cruzipain | 1 |
Data from ChEMBL 36 via Core Engine