Compound Detail
CHEMBL4792815
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=[N+]([O-])c1cn2c(n1)OC(COc1cnc(-c3ccc(OC(F)(F)F)cc3)cn1)CC2
Basic Information
| ChEMBL ID | CHEMBL4792815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVIWWJWCBWTYNU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.3
MW (Da)
3.38
ALogP
9
HBA
0
HBD
114.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 210.0 | nM | 6.68 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen strain C2C4 amastig... | 33007723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33007723 | 10.1016/j.ejmech.2020.112849 | Trypanosoma cruzi | 2 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | L6 | 1 |
| 33007723 | 10.1016/j.ejmech.2020.112849 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine