Compound Detail
CHEMBL2170322
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Basic Information
| ChEMBL ID | CHEMBL2170322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAHWPHPKSALDIN-QXMXGUDHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.19
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | IC50 | 5.05 | 4.615 | 8900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | IC50 | = | 8900.0 | nM | 5.05 | Antischistosomal activity against Schistosoma mansoni NTS incubated for 72 hrs | 23013253 |
| Schistosoma mansoni | IC50 | = | 66600.0 | nM | 4.18 | Antischistosomal activity against adult Schistosoma mansoni schistosomes incubat... | 23013253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23013253 | 10.1021/jm3009184 | Schistosoma mansoni | 2 |
Data from ChEMBL 36 via Core Engine