Compound Detail
CHEMBL3770083
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Basic Information
| ChEMBL ID | CHEMBL3770083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKFMIBIGZGMQKZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.1
MW (Da)
4.65
ALogP
2
HBA
2
HBD
64.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Schistosoma japonicum CHEMBL612644 | IC50 | 5.66 | 5.515 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Schistosoma japonicum | IC50 | = | 2200.0 | nM | 5.66 | Antischistosomal activity against adult stage of Schistosoma japonicum after 72 ... | 26856921 |
| Schistosoma japonicum | IC50 | = | 4300.0 | nM | 5.37 | Antischistosomal activity against juvenile stage of Schistosoma japonicum after ... | 26856921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26856921 | 10.1016/j.bmcl.2016.01.075 | Schistosoma japonicum | 4 |
Data from ChEMBL 36 via Core Engine