Compound Detail
CHEMBL5179153
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-])c1ccc2nc(Nc3ccc(F)c(C(F)(F)F)c3)c(Nc3ccc(F)c(C(F)(F)F)c3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL5179153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWHKTZJAYMCHQR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.4
MW (Da)
7.34
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | EC50 | 7.96 | 6.76 | 11.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | EC50 | = | 11.01 | nM | 7.96 | Antischistosomal activity against adult stage of Schistosoma mansoni assessed as... | 34536671 |
| Schistosoma mansoni | EC50 | = | 540.0 | nM | 6.27 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
| Schistosoma mansoni | EC50 | = | 890.0 | nM | 6.05 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34536671 | 10.1016/j.ejmech.2021.113823 | Schistosoma mansoni | 3 |
| 34536671 | 10.1016/j.ejmech.2021.113823 | HepG2 | 2 |
| 34536671 | 10.1016/j.ejmech.2021.113823 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine