Compound Detail
CHEMBL4471091
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Basic Information
| ChEMBL ID | CHEMBL4471091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOJNQIPIYLHJJS-DNRKLUKYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.1
MW (Da)
0.25
ALogP
6
HBA
3
HBD
87.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.76 | 5.1 | 1750.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.28 | 4.28 | 52900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 1750.0 | nM | 5.76 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 amastigotes inf... | 31495177 |
| Trypanosoma cruzi | EC50 | = | 36300.0 | nM | 4.44 | Antitrypanosomal activity against bloodstream form of Trypanosoma cruzi Y trypom... | 31495177 |
| Unchecked | EC50 | = | 52900.0 | nM | 4.28 | Cytotoxicity against human MRC5 SV2 cells assessed as reduction in cell viabilit... | 31495177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Trypanosoma cruzi | 2 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | Unchecked | 2 |
| 31495177 | 10.1021/acs.jmedchem.9b01275 | L929 | 1 |
Data from ChEMBL 36 via Core Engine