Compound Detail
CHEMBL4522839
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Basic Information
| ChEMBL ID | CHEMBL4522839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOGKYWBQKGULJT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.27
ALogP
4
HBA
0
HBD
47.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma mansoni CHEMBL612893 | EC50 | 5.58 | 5.19 | 2620.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma mansoni | EC50 | = | 2620.0 | nM | 5.58 | Antischistosomal activity against Schistosoma mansoni BH schistosomula assessed ... | 27396732 |
| Schistosoma mansoni | EC50 | = | 4910.0 | nM | 5.31 | Antischistosomal activity against adult female Schistosoma mansoni BH assessed a... | 27396732 |
| Schistosoma mansoni | EC50 | = | 21100.0 | nM | 4.68 | Antischistosomal activity against adult male Schistosoma mansoni BH assessed as ... | 27396732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27396732 | 10.1021/acs.jmedchem.5b02038 | Schistosoma mansoni | 14 |
| 27396732 | 10.1021/acs.jmedchem.5b02038 | Unchecked | 1 |
| 27396732 | 10.1021/acs.jmedchem.5b02038 | Papain | 1 |
Data from ChEMBL 36 via Core Engine