Compound Detail
CHEMBL2170338
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
Basic Information
| ChEMBL ID | CHEMBL2170338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEZPIJHDSXXMIS-IRHLINNNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.17
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | IC50 | = | 13400.0 | nM | 4.87 | Antischistosomal activity against Schistosoma mansoni NTS incubated for 72 hrs | 23013253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23013253 | 10.1021/jm3009184 | Schistosoma mansoni | 2 |
Data from ChEMBL 36 via Core Engine