Compound Detail
CHEMBL4878553
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Basic Information
| ChEMBL ID | CHEMBL4878553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSKVZFNSISLWRC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.04
ALogP
5
HBA
3
HBD
70.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 500.0 | nM | 6.3 | Trypanocidal activity against amastigotes form of Trypanosoma cruzi CA-I/72 infe... | 34461718 |
| Cruzipain | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate ... | 34461718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34461718 | 10.1021/acs.jmedchem.1c01151 | Cruzipain | 6 |
| 34461718 | 10.1021/acs.jmedchem.1c01151 | Rhodesain | 2 |
| 34461718 | 10.1021/acs.jmedchem.1c01151 | Trypanosoma cruzi | 1 |
| 34461718 | 10.1021/acs.jmedchem.1c01151 | C2C12 | 1 |
| 34461718 | 10.1021/acs.jmedchem.1c01151 | ADMET | 1 |
| 34461718 | 10.1021/acs.jmedchem.1c01151 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine